methyl 2-[2-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)CSC1=NC(=O)C=C(N1)CC(=O)OC

InChI

InChI=1S/C15H20N4O4S/c1-9(2)15(3,8-16)19-12(21)7-24-14-17-10(5-11(20)18-14)6-13(22)23-4/h5,9H,6-7H2,1-4H3,(H,19,21)(H,17,18,20)/t15-/m0/s1