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

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-8-(4-ethyl-1-piperazin-4-iumyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-8-(4-ethylpiperazin-4-ium-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-xanthine Formula: C19H23Cl2N6O2+ MolecularWeight: 438.33092

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H22Cl2N6O2/c1-3-25-6-8-26(9-7-25)18-22-16-15(17(28)23-19(29)24(16)2)27(18)11-12-4-5-13(20)10-14(12)21/h4-5,10H,3,6-9,11H2,1-2H3,(H,23,28,29)/p+1