7-[2,3-bis(oxidanyl)propyl]-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-3-methyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Traditional Name: 7-glyceryl-3-methyl-8-[(4-methylbenzyl)amino]xanthine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC(CO)O)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC(CO)O)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H21N5O4/c1-10-3-5-11(6-4-10)7-18-16-19-14-13(22(16)8-12(24)9-23)15(25)20-17(26)21(14)2/h3-6,12,23-24H,7-9H2,1-2H3,(H,18,19)(H,20,25,26)