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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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