8-[2-[4-(diphenylmethyl)piperazin-1-yl]-1-oxidanyl-ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

Systemtic Name: 8-[2-[4-(diphenylmethyl)piperazin-1-yl]-1-oxidanyl-ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[2-(4-benzhydrylpiperazin-1-yl)-1-hydroxy-ethyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[2-[4-(diphenylmethyl)-1-piperazinyl]-1-hydroxyethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[2-(4-benzhydrylpiperazin-1-yl)-1-hydroxyethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[2-(4-benzhydrylpiperazino)-1-hydroxy-ethyl]-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C29H36N6O3 MolecularWeight: 516.63454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H36N6O3/c1-20(2)18-35-27-24(28(37)32(3)29(35)38)30-26(31-27)23(36)19-33-14-16-34(17-15-33)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,20,23,25,36H,14-19H2,1-3H3,(H,30,31)