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

Systemtic Name: 2-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-carbamoylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-carbamoylanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(4-carbamoylanilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H13N4O3S- MolecularWeight: 317.34302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)N)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)N)[O-]

InChI

InChI=1S/C14H14N4O3S/c1-8-6-11(19)18-14(16-8)22-7-12(20)17-10-4-2-9(3-5-10)13(15)21/h2-6H,7H2,1H3,(H2,15,21)(H,17,20)(H,16,18,19)/p-1