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

Systemtic Name: propan-2-yl 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: isopropyl 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]acetic acid isopropyl ester Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)OC(C)C)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)OC(C)C)C#N

InChI

InChI=1S/C12H15N3O3S/c1-4-9-8(5-13)11(17)15-12(14-9)19-6-10(16)18-7(2)3/h7H,4,6H2,1-3H3,(H,14,15,17)