methyl (2S)-2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-pyridinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypicolinoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H22N4O6S MolecularWeight: 422.45548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=C(N=CC=C2)C(=O)NC(CCSC)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=C(N=CC=C2)C(=O)N[C@@H](CCSC)C(=O)OC)OC

InChI

InChI=1S/C18H22N4O6S/c1-25-13-10-14(26-2)22-18(21-13)28-12-6-5-8-19-15(12)16(23)20-11(7-9-29-4)17(24)27-3/h5-6,8,10-11H,7,9H2,1-4H3,(H,20,23)/t11-/m0/s1