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

Systemtic Name: 8-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1-ethyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-ethyl-3-isobutyl-7H-purine-2,6-dione CAS Name: 8-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1-ethyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-ethyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[3-(4-benzhydrylpiperazino)propyl]-1-ethyl-3-isobutyl-7H-purine-2,6-quinone Formula: C31H40N6O2 MolecularWeight: 528.6883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)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(N2)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N(C1=O)CC(C)C

InChI

InChI=1S/C31H40N6O2/c1-4-36-30(38)27-29(37(31(36)39)22-23(2)3)33-26(32-27)16-11-17-34-18-20-35(21-19-34)28(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h5-10,12-15,23,28H,4,11,16-22H2,1-3H3,(H,32,33)