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

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

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C17H22N4O4S/c1-11(15(24)21-17(10-18)6-4-3-5-7-17)26-16-19-12(8-13(22)20-16)9-14(23)25-2/h8,11H,3-7,9H2,1-2H3,(H,21,24)(H,19,20,22)/t11-/m1/s1