methyl 2-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C16H20N4O4S/c1-24-14(23)8-11-7-12(21)19-15(18-11)25-9-13(22)20-16(10-17)5-3-2-4-6-16/h7H,2-6,8-9H2,1H3,(H,20,22)(H,18,19,21)