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

Systemtic Name: 2-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-iodoanilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-iodoanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(4-iodoanilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C13H11IN3O2S- MolecularWeight: 400.21481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12IN3O2S/c1-8-6-11(18)17-13(15-8)20-7-12(19)16-10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,16,19)(H,15,17,18)/p-1