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

Systemtic Name: 8-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[3-(4-benzhydrylpiperazino)propyl]-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C30H38N6O2 MolecularWeight: 514.66172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N6O2/c1-22(2)21-36-28-26(29(37)33(3)30(36)38)31-25(32-28)15-10-16-34-17-19-35(20-18-34)27(23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-9,11-14,22,27H,10,15-21H2,1-3H3,(H,31,32)