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

Systemtic Name: 8-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[(4-benzhydrylpiperazin-1-yl)methyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(4-benzhydrylpiperazin-1-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[(4-benzhydrylpiperazino)methyl]-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C28H34N6O2 MolecularWeight: 486.60856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N6O2/c1-20(2)18-34-26-24(27(35)31(3)28(34)36)29-23(30-26)19-32-14-16-33(17-15-32)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,20,25H,14-19H2,1-3H3,(H,29,30)