tert-butyl (2R,3S)-3-(2-methylsulfanyl-4-oxidanylidene-1H-pteridin-6-yl)-2,3-bis(oxidanyl)propanoate

Systemtic Name: tert-butyl (2R,3S)-3-(2-methylsulfanyl-4-oxidanylidene-1H-pteridin-6-yl)-2,3-bis(oxidanyl)propanoate Openeye Name: tert-butyl (2R,3S)-2,3-dihydroxy-3-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)propanoate CAS Name: (2R,3S)-2,3-dihydroxy-3-[2-(methylthio)-4-oxo-1H-pteridin-6-yl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S)-2,3-dihydroxy-3-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)propanoate Traditional Name: (2R,3S)-2,3-dihydroxy-3-[4-keto-2-(methylthio)-1H-pteridin-6-yl]propionic acid tert-butyl ester Formula: C14H18N4O5S MolecularWeight: 354.38152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(C1=CN=C2C(=N1)C(=O)N=C(N2)SC)O)O

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]([C@H](C1=CN=C2C(=N1)C(=O)N=C(N2)SC)O)O

InChI

InChI=1S/C14H18N4O5S/c1-14(2,3)23-12(22)9(20)8(19)6-5-15-10-7(16-6)11(21)18-13(17-10)24-4/h5,8-9,19-20H,1-4H3,(H,15,17,18,21)/t8-,9+/m0/s1