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CAS 571188-81-3
Also known as: 571188-81-3, 6-bromo-8-cyclopentyl-5-methyl-2-(methylsulfinyl)pyrido[2,3-d]pyrimidin-7(8h)-one, 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one, Schembl2074839, Ac-29013, 6-bromo-8-cyclopentyl-2-methanesulfinyl-5-methy1-8h-pyrido[2,3-d]pyrimidin-7-one
Molecular Formula
C14H16BrN3O2S
Molecular Weight
370.27  g/mol
InChI Key
NNPLOKKYGFGHNO-UHFFFAOYSA-N

1 2D Structure

CAS 571188-81-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-bromo-8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
2.1.2 InChI
InChI=1S/C14H16BrN3O2S/c1-8-10-7-16-14(21(2)20)17-12(10)18(13(19)11(8)15)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3
2.1.3 InChI Key
NNPLOKKYGFGHNO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)S(=O)C)C3CCCC3)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 571188-81-3

2. 6-bromo-8-cyclopentyl-5-methyl-2-(methylsulfinyl)pyrido[2,3-d]pyrimidin-7(8h)-one

3. 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

4. Schembl2074839

5. Ac-29013

6. 6-bromo-8-cyclopentyl-2-methanesulfinyl-5-methy1-8h-pyrido[2,3-d]pyrimidin-7-one

7. 6-bromo-8-cyclopentyl-2-methansulfinyl-5-methyl-8h-pyrido[2,3-d]pyrimidin-7-one

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 370.27 g/mol
Molecular Formula C14H16BrN3O2S
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass369.01466 g/mol
Monoisotopic Mass369.01466 g/mol
Topological Polar Surface Area82.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity504
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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CAS-1016636-76-2
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Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...
Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.
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CAS-571188-59-5
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Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...
Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.
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