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

Systemtic Name: 1-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-(4-benzhydrylpiperazino)propyl]-3,7-dimethyl-xanthine Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O2/c1-29-20-28-25-24(29)26(34)33(27(35)30(25)2)15-9-14-31-16-18-32(19-17-31)23(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23H,9,14-19H2,1-2H3