2-[2,3-bis(oxidanyl)propylamino]-9-methyl-1,7-bis(phenylmethyl)purine-6,8-dione

Systemtic Name: 2-[2,3-bis(oxidanyl)propylamino]-9-methyl-1,7-bis(phenylmethyl)purine-6,8-dione Openeye Name: 1,7-dibenzyl-2-(2,3-dihydroxypropylamino)-9-methyl-purine-6,8-dione CAS Name: 2-(2,3-dihydroxypropylamino)-9-methyl-1,7-bis(phenylmethyl)purine-6,8-dione IUPAC Name: 1,7-dibenzyl-2-(2,3-dihydroxypropylamino)-9-methylpurine-6,8-dione Traditional Name: 1,7-dibenzyl-2-(glycerylamino)-9-methyl-purine-6,8-quinone Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=N2)NCC(CO)O)CC3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C(=N2)NCC(CO)O)CC3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O4/c1-26-20-19(27(23(26)32)13-16-8-4-2-5-9-16)21(31)28(14-17-10-6-3-7-11-17)22(25-20)24-12-18(30)15-29/h2-11,18,29-30H,12-15H2,1H3,(H,24,25)