7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[4-(2-pyridin-1-iumyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazino)xanthine Formula: C23H25ClN7O2+ MolecularWeight: 466.9433

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=[NH+]4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=[NH+]4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H24ClN7O2/c1-27-20-19(21(32)28(2)23(27)33)31(15-16-6-8-17(24)9-7-16)22(26-20)30-13-11-29(12-14-30)18-5-3-4-10-25-18/h3-10H,11-15H2,1-2H3/p+1