2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(3-chlorophenyl)propanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(3-chlorophenyl)propanamide Openeye Name: 2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(3-chlorophenyl)propanamide CAS Name: 2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(3-chlorophenyl)propanamide IUPAC Name: 2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(3-chlorophenyl)propanamide Traditional Name: 2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(3-chlorophenyl)propionamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

InChI

InChI=1S/C21H21ClN4O2S/c1-14(20(28)24-17-9-5-8-16(22)12-17)29-21-25-19(27)13-18(23)26(21)11-10-15-6-3-2-4-7-15/h2-9,12-14H,10-11,23H2,1H3,(H,24,28)