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

Systemtic Name: 8-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[(4-benzhydrylpiperazino)methyl]-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C34H38N6O2 MolecularWeight: 562.70452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCCC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCCC6=CC=CC=C6

InChI

InChI=1S/C34H38N6O2/c1-36-32-31(33(41)37(2)34(36)42)40(20-12-15-26-13-6-3-7-14-26)29(35-32)25-38-21-23-39(24-22-38)30(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-11,13-14,16-19,30H,12,15,20-25H2,1-2H3