propan-2-yl 2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]acetic acid isopropyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)OC(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)OC(C)C)C#N

InChI

InChI=1S/C17H17N3O3S/c1-10(2)23-14(21)9-24-17-19-15(13(8-18)16(22)20-17)12-6-4-11(3)5-7-12/h4-7,10H,9H2,1-3H3,(H,19,20,22)