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

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(5-allyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(6-methyl-4-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)thio]-N-phenylacetamide IUPAC Name: 2-[(6-methyl-4-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(5-allyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-phenyl-acetamide Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=CC=C2)CC=C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=CC=C2)CC=C

InChI

InChI=1S/C16H17N3O2S/c1-3-7-13-11(2)17-16(19-15(13)21)22-10-14(20)18-12-8-5-4-6-9-12/h3-6,8-9H,1,7,10H2,2H3,(H,18,20)(H,17,19,21)