N-Benzoyl-1-Methylcytosine manufacturers and suppliers on PharmaCompass

Chemistry

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Also known as: Schembl10001691
Molecular Formula
C12H11N3O2
Molecular Weight
229.23  g/mol
InChI Key
UJENRKCFOQVRPT-UHFFFAOYSA-N

N-Benzoyl-1-Methylcytosine
1 2D Structure

N-Benzoyl-1-Methylcytosine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(1-methyl-2-oxopyrimidin-4-yl)benzamide
2.1.2 InChI
InChI=1S/C12H11N3O2/c1-15-8-7-10(14-12(15)17)13-11(16)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14,16,17)
2.1.3 InChI Key
UJENRKCFOQVRPT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C=CC(=NC1=O)NC(=O)C2=CC=CC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl10001691

2.3 Create Date
2007-12-06
3 Chemical and Physical Properties
Molecular Weight 229.23 g/mol
Molecular Formula C12H11N3O2
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass229.085126602 g/mol
Monoisotopic Mass229.085126602 g/mol
Topological Polar Surface Area61.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity381
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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