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

Systemtic Name: 7-[(2-bromophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(2-bromophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(2-bromophenyl)methyl]-1,3-dimethyl-8-(4-methyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-bromophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(2-bromobenzyl)-1,3-dimethyl-8-(4-methylpiperazino)xanthine Formula: C19H23BrN6O2 MolecularWeight: 447.32892

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4Br)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4Br)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H23BrN6O2/c1-22-8-10-25(11-9-22)18-21-16-15(17(27)24(3)19(28)23(16)2)26(18)12-13-6-4-5-7-14(13)20/h4-7H,8-12H2,1-3H3