1,3-dimethyl-8-[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]-7H-purine-2,6-dione Openeye Name: 8-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-[hydroxy(diphenyl)methyl]piperidino]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C25H27N5O3/c1-28-21-20(22(31)29(2)24(28)32)26-23(27-21)30-15-13-19(14-16-30)25(33,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,33H,13-16H2,1-2H3,(H,26,27)