6-[(1R,2R)-1,2-bis(oxidanyl)propyl]-2-methylsulfanyl-1H-pteridin-4-one

Systemtic Name: 6-[(1R,2R)-1,2-bis(oxidanyl)propyl]-2-methylsulfanyl-1H-pteridin-4-one Openeye Name: 6-[(1R,2R)-1,2-dihydroxypropyl]-2-methylsulfanyl-1H-pteridin-4-one CAS Name: 6-[(1R,2R)-1,2-dihydroxypropyl]-2-(methylthio)-1H-pteridin-4-one IUPAC Name: 6-[(1R,2R)-1,2-dihydroxypropyl]-2-methylsulfanyl-1H-pteridin-4-one Traditional Name: 6-[(1R,2R)-1,2-dihydroxypropyl]-2-(methylthio)-1H-pteridin-4-one Formula: C10H12N4O3S MolecularWeight: 268.29228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4O3S/c1-4(15)7(16)5-3-11-8-6(12-5)9(17)14-10(13-8)18-2/h3-4,7,15-16H,1-2H3,(H,11,13,14,17)/t4-,7+/m1/s1