8-azanyl-7-[(2R)-2,3-bis(oxidanyl)propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-azanyl-7-[(2R)-2,3-bis(oxidanyl)propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-amino-7-[(2R)-2,3-dihydroxypropyl]-3-methyl-purine-2,6-dione CAS Name: 8-amino-7-[(2R)-2,3-dihydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-amino-7-[(2R)-2,3-dihydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-amino-7-[(2R)-2,3-dihydroxypropyl]-3-methyl-xanthine Formula: C9H13N5O4 MolecularWeight: 255.23062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N)CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N)C[C@H](CO)O

InChI

InChI=1S/C9H13N5O4/c1-13-6-5(7(17)12-9(13)18)14(8(10)11-6)2-4(16)3-15/h4,15-16H,2-3H2,1H3,(H2,10,11)(H,12,17,18)/t4-/m1/s1