2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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