2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(p-tolyl)acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

InChI

InChI=1S/C21H22N4O2S/c1-15-7-9-17(10-8-15)23-20(27)14-28-21-24-19(26)13-18(22)25(21)12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,14,22H2,1H3,(H,23,27)