8-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[3-(4-benzhydrylpiperazino)propyl]-1,3,7-trimethyl-xanthine Formula: C28H34N6O2 MolecularWeight: 486.60856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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