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

Systemtic Name: 2-[2-[(4-cyclohexylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-cyclohexylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-cyclohexylanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-cyclohexylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(4-cyclohexylanilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C19H22N3O2S- MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C3CCCCC3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C3CCCCC3)[O-]

InChI

InChI=1S/C19H23N3O2S/c1-13-11-17(23)22-19(20-13)25-12-18(24)21-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-11,14H,2-6,12H2,1H3,(H,21,24)(H,20,22,23)/p-1