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

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(4-methyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-3-methyl-8-(4-methylpiperazino)xanthine Formula: C18H20Cl2N6O2 MolecularWeight: 423.2964

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C18H20Cl2N6O2/c1-23-5-7-25(8-6-23)17-21-15-14(16(27)22-18(28)24(15)2)26(17)10-11-3-4-12(19)9-13(11)20/h3-4,9H,5-8,10H2,1-2H3,(H,22,27,28)