2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-isobutyl-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-3-(2-methylpropyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)-6-oxopyrimidin-4-olate Traditional Name: 3-isobutyl-6-keto-2-[[2-keto-2-(m-toluidino)ethyl]thio]pyrimidin-4-olate Formula: C17H20N3O3S- MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2CC(C)C)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2CC(C)C)[O-]

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/h4-8,11,23H,9-10H2,1-3H3,(H,18,22)/p-1