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

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-(4-propylpiperazin-4-ium-1-yl)purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-(4-propylpiperazin-4-ium-1-yl)purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-(4-propyl-1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-(4-propylpiperazin-4-ium-1-yl)purine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-3-methyl-8-(4-propylpiperazin-4-ium-1-yl)xanthine Formula: C20H25Cl2N6O2+ MolecularWeight: 452.3575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24Cl2N6O2/c1-3-6-26-7-9-27(10-8-26)19-23-17-16(18(29)24-20(30)25(17)2)28(19)12-13-4-5-14(21)15(22)11-13/h4-5,11H,3,6-10,12H2,1-2H3,(H,24,29,30)/p+1