6-ethyl-5-methyl-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-ethyl-5-methyl-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-ethyl-5-methyl-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-ethyl-5-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-ethyl-5-methyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-ethyl-2-[[2-keto-2-(m-toluidino)ethyl]thio]-5-methyl-pyrimidin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C)[O-])C

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C)[O-])C

InChI

InChI=1S/C16H19N3O2S/c1-4-13-11(3)15(21)19-16(18-13)22-9-14(20)17-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H,17,20)(H,18,19,21)/p-1