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

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[4-(2-pyridin-1-iumyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-1,3-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazino)xanthine Formula: C23H24Cl2N7O2+ MolecularWeight: 501.38836

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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=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H23Cl2N7O2/c1-28-20-19(21(33)29(2)23(28)34)32(14-15-6-7-16(24)13-17(15)25)22(27-20)31-11-9-30(10-12-31)18-5-3-4-8-26-18/h3-8,13H,9-12,14H2,1-2H3/p+1