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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N(C1=O)CC(C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N(C1=O)CC(C)C

InChI

InChI=1S/C32H42N6O2/c1-5-37-31(39)29-30(38(32(37)40)23-24(2)3)33-27(34(29)4)17-12-18-35-19-21-36(22-20-35)28(25-13-8-6-9-14-25)26-15-10-7-11-16-26/h6-11,13-16,24,28H,5,12,17-23H2,1-4H3