N-(3-acetamidophenyl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-(3-acetamidophenyl)-2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetamide CAS Name: N-(3-acetamidophenyl)-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetamide Traditional Name: N-(3-acetamidophenyl)-2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3S/c1-14(26)22-16-8-5-9-17(10-16)23-19(27)11-18-12-20(28)25-21(24-18)29-13-15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3,(H,22,26)(H,23,27)(H,24,25,28)