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

Systemtic Name: methyl 2-[2-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NC(=O)C=C(N1)CC(=O)OC)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)CSC1=NC(=O)C=C(N1)CC(=O)OC)C2(CCCCC2)C#N

InChI

InChI=1S/C17H22N4O4S/c1-21(17(11-18)6-4-3-5-7-17)14(23)10-26-16-19-12(8-13(22)20-16)9-15(24)25-2/h8H,3-7,9-10H2,1-2H3,(H,19,20,22)