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

Systemtic Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-xanthine Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4)CCOC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4)CCOC

InChI

InChI=1S/C23H31N5O3/c1-25-21-20(22(29)26(2)23(25)30)28(13-14-31-3)19(24-21)16-27-11-9-18(10-12-27)15-17-7-5-4-6-8-17/h4-8,18H,9-16H2,1-3H3/p+1