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

Systemtic Name: 8-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[3-(4-benzhydrylpiperazino)propyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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