methyl 2-[2-(2-cyanoethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-cyanoethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-(2-cyanoethylsulfanyl)-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-(2-cyanoethylthio)-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-cyanoethylsulfanyl)-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-(2-cyanoethylthio)-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C10H11N3O3S MolecularWeight: 253.27764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCCC#N

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCCC#N

InChI

InChI=1S/C10H11N3O3S/c1-16-9(15)6-7-5-8(14)13-10(12-7)17-4-2-3-11/h5H,2,4,6H2,1H3,(H,12,13,14)