2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chloranyl-2-methyl-phenyl)propanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(3-chloro-2-methylphenyl)propanamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C14H15ClN4O2S MolecularWeight: 338.8125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C14H15ClN4O2S/c1-7-9(15)4-3-5-10(7)17-13(21)8(2)22-14-18-11(16)6-12(20)19-14/h3-6,8H,1-2H3,(H,17,21)(H3,16,18,19,20)