7-[2,3-bis(oxidanyl)propyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl-purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-glyceryl-3-isobutyl-1-methyl-xanthine Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O

InChI

InChI=1S/C13H20N4O4/c1-8(2)4-17-11-10(12(20)15(3)13(17)21)16(7-14-11)5-9(19)6-18/h7-9,18-19H,4-6H2,1-3H3