N-(3-methylphenyl)-2-[[3-(2-methylpropyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[[3-(2-methylpropyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-hydroxy-3-isobutyl-6-oxo-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[[4-hydroxy-3-(2-methylpropyl)-6-oxo-1H-pyrimidin-3-ium-2-yl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[[4-hydroxy-3-(2-methylpropyl)-6-oxo-1H-pyrimidin-3-ium-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[(4-hydroxy-3-isobutyl-6-keto-1H-pyrimidin-3-ium-2-yl)thio]-N-(m-tolyl)acetamide Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=[N+](C(=CC(=O)N2)O)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=[N+](C(=CC(=O)N2)O)CC(C)C

InChI

InChI=1S/C17H21N3O3S/c1-11(2)9-20-16(23)8-14(21)19-17(20)24-10-15(22)18-13-6-4-5-12(3)7-13/h4-8,11H,9-10H2,1-3H3,(H2,18,21,22,23)/p+1