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

Systemtic Name: 8-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-xanthine Formula: C29H37N6O3+ MolecularWeight: 517.64248

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H36N6O3/c1-4-38-20-19-35-24(30-27-26(35)28(36)32(3)29(37)31(27)2)21-33-15-17-34(18-16-33)25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,25H,4,15-21H2,1-3H3/p+1