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

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)purine-2,6-dione Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)purine-2,6-dione CAS Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[4-(2-pyridin-1-iumyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)purine-2,6-dione Traditional Name: 1-(2,4-dichlorobenzyl)-3,7-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(N=C1N3CCN(CC3)C4=CC=CC=[NH+]4)N(C(=O)N(C2=O)CC5=C(C=C(C=C5)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=[NH+]4)N(C(=O)N(C2=O)CC5=C(C=C(C=C5)Cl)Cl)C

InChI

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