2-[2-[(3-azanyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-azanyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-amino-4-chloro-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(3-amino-4-chloroanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-amino-4-chloroanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(3-amino-4-chloro-anilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C13H12ClN4O2S- MolecularWeight: 323.77798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4O2S/c1-7-4-11(19)18-13(16-7)21-6-12(20)17-8-2-3-9(14)10(15)5-8/h2-5H,6,15H2,1H3,(H,17,20)(H,16,18,19)/p-1