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

Systemtic Name: 7-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(diphenylmethyl)-1-piperazinyl]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(4-benzhydrylpiperazino)ethyl]-1,3-dimethyl-xanthine Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N6O2/c1-28-24-23(25(33)29(2)26(28)34)32(19-27-24)18-15-30-13-16-31(17-14-30)22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22H,13-18H2,1-2H3