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

Systemtic Name: 8-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(3-oxidanylpropyl)purine-2,6-dione Openeye Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-(3-hydroxypropyl)-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)CCCO

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)CCCO

InChI

InChI=1S/C28H34N6O3/c1-30-26-25(27(36)31(2)28(30)37)34(14-9-19-35)23(29-26)20-32-15-17-33(18-16-32)24(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,24,35H,9,14-20H2,1-2H3/p+1