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

Systemtic Name: 8-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-7-heptyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(4-benzhydrylpiperazin-1-yl)methyl]-7-heptyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-7-heptyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(4-benzhydrylpiperazin-1-yl)methyl]-7-heptyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-benzhydrylpiperazino)methyl]-7-heptyl-1,3-dimethyl-xanthine Formula: C32H42N6O2 MolecularWeight: 542.71488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H42N6O2/c1-4-5-6-7-14-19-38-27(33-30-29(38)31(39)35(3)32(40)34(30)2)24-36-20-22-37(23-21-36)28(25-15-10-8-11-16-25)26-17-12-9-13-18-26/h8-13,15-18,28H,4-7,14,19-24H2,1-3H3