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

Systemtic Name: propan-2-yl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: isopropyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanoate CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]butyric acid isopropyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)C)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCC(C(=O)OC(C)C)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C18H19N3O3S/c1-4-14(17(23)24-11(2)3)25-18-20-15(12-8-6-5-7-9-12)13(10-19)16(22)21-18/h5-9,11,14H,4H2,1-3H3,(H,20,21,22)