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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)amino]purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)amino]purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-1-piperazin-4-iumyl)amino]purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)amino]purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)amino]xanthine Formula: C19H25ClN7O2+ MolecularWeight: 418.9005

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[NH+]1CCN(CC1)NC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H24ClN7O2/c1-23-8-10-26(11-9-23)22-18-21-16-15(17(28)25(3)19(29)24(16)2)27(18)12-13-6-4-5-7-14(13)20/h4-7H,8-12H2,1-3H3,(H,21,22)/p+1