5,6-dimethyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5,6-dimethyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5,6-dimethyl-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5,6-dimethyl-2-[[2-(4-methylanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 5,6-dimethyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-5,6-dimethyl-pyrimidin-4-olate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2S/c1-9-4-6-12(7-5-9)17-13(19)8-21-15-16-11(3)10(2)14(20)18-15/h4-7H,8H2,1-3H3,(H,17,19)(H,16,18,20)/p-1