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

Systemtic Name: 8-[4-(diphenylmethyl)-2-ethyl-piperazin-1-yl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-(4-benzhydryl-2-ethyl-piperazin-1-yl)-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[4-(diphenylmethyl)-2-ethyl-1-piperazinyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-(4-benzhydryl-2-ethylpiperazin-1-yl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-(4-benzhydryl-2-ethyl-piperazino)-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C29H36N6O2 MolecularWeight: 500.63514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C2=NC3=C(N2)C(=O)N(C(=O)N3CC(C)C)C)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1CN(CCN1C2=NC3=C(N2)C(=O)N(C(=O)N3CC(C)C)C)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H36N6O2/c1-5-23-19-33(25(21-12-8-6-9-13-21)22-14-10-7-11-15-22)16-17-34(23)28-30-24-26(31-28)35(18-20(2)3)29(37)32(4)27(24)36/h6-15,20,23,25H,5,16-19H2,1-4H3,(H,30,31)