2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(4-ethanoylphenyl)propanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(4-acetylphenyl)-2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(4-acetylphenyl)-2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]propionamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

InChI

InChI=1S/C21H20N4O3S/c1-13(26)15-8-10-16(11-9-15)23-20(28)14(2)29-21-24-19(27)12-18(22)25(21)17-6-4-3-5-7-17/h3-12,14H,22H2,1-2H3,(H,23,28)