2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(methoxymethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(methoxymethyl)pyrimidin-4-olate Openeye Name: 2-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-6-(methoxymethyl)pyrimidin-4-olate CAS Name: 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]thio]-6-(methoxymethyl)-4-pyrimidinolate IUPAC Name: 2-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-6-(methoxymethyl)pyrimidin-4-olate Traditional Name: 2-[[2-(3,5-dimethylanilino)-2-keto-ethyl]thio]-6-(methoxymethyl)pyrimidin-4-olate Formula: C16H18N3O3S- MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-10-4-11(2)6-12(5-10)17-15(21)9-23-16-18-13(8-22-3)7-14(20)19-16/h4-7H,8-9H2,1-3H3,(H,17,21)(H,18,19,20)/p-1