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

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-3-methyl-8-[(4-methyl-1-piperazinyl)methyl]purine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-3-methyl-8-[(4-methylpiperazino)methyl]xanthine Formula: C19H22Cl2N6O2 MolecularWeight: 437.32298

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H22Cl2N6O2/c1-24-5-7-26(8-6-24)11-15-22-17-16(18(28)23-19(29)25(17)2)27(15)10-12-3-4-13(20)9-14(12)21/h3-4,9H,5-8,10-11H2,1-2H3,(H,23,28,29)