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

Systemtic Name: 2-[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C20H23N4O2S- MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C)[O-]

InChI

InChI=1S/C20H24N4O2S/c1-4-6-16-12-18(25)23-20(22-16)27-13-19(26)24(8-5-7-21)17-10-14(2)9-15(3)11-17/h9-12H,4-6,8,13H2,1-3H3,(H,22,23,25)/p-1