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

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-prop-2-enyl-pyrimidin-4-olate Openeye Name: 3-allyl-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-6-oxo-3-prop-2-enyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-3-prop-2-enylpyrimidin-4-olate Traditional Name: 3-allyl-6-keto-2-[[2-keto-2-(p-toluidino)ethyl]thio]pyrimidin-4-olate Formula: C16H16N3O3S- MolecularWeight: 330.38154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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