methyl 2-[2-(3-cyanopropylsulfanyl)-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-(3-cyanopropylsulfanyl)-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-(3-cyanopropylsulfanyl)-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-(3-cyanopropylthio)-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-cyanopropylsulfanyl)-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-(3-cyanopropylthio)-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O3S/c1-17-10(16)7-8-6-9(15)14-11(13-8)18-5-3-2-4-12/h6H,2-3,5,7H2,1H3,(H,13,14,15)