N-(4-methylphenyl)-2-[(4-oxidanyl-6-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[(4-oxidanyl-6-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-allyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[(4-hydroxy-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[(4-hydroxy-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[(5-allyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-(p-tolyl)acetamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CC=C)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CC=C)O

InChI

InChI=1S/C16H17N3O3S/c1-3-4-12-14(21)18-16(19-15(12)22)23-9-13(20)17-11-7-5-10(2)6-8-11/h3,5-8H,1,4,9H2,2H3,(H,17,20)(H2,18,19,21,22)