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

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-3-methyl-8-(phenethylamino)purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-3-methyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-3-methyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-glyceryl-3-methyl-8-(phenethylamino)xanthine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC(CO)O

InChI

InChI=1S/C17H21N5O4/c1-21-14-13(15(25)20-17(21)26)22(9-12(24)10-23)16(19-14)18-8-7-11-5-3-2-4-6-11/h2-6,12,23-24H,7-10H2,1H3,(H,18,19)(H,20,25,26)