8-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-xanthine Formula: C28H35N6O3+ MolecularWeight: 503.6159

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCOC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCOC

InChI

InChI=1S/C28H34N6O3/c1-30-26-25(27(35)31(2)28(30)36)34(18-19-37-3)23(29-26)20-32-14-16-33(17-15-32)24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,24H,14-20H2,1-3H3/p+1