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

Systemtic Name: 1-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[2-(4-benzhydrylpiperazino)-2-keto-ethyl]-3,7-dimethyl-xanthine Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N6O3/c1-28-18-27-24-23(28)25(34)32(26(35)29(24)2)17-21(33)30-13-15-31(16-14-30)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,22H,13-17H2,1-2H3