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

Systemtic Name: 7-[(4-bromophenyl)methyl]-3-methyl-8-[4-(2-methylpropyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-(4-isobutylpiperazin-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-3-methyl-8-[4-(2-methylpropyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-3-methyl-8-[4-(2-methylpropyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-(4-isobutylpiperazino)-3-methyl-xanthine Formula: C21H27BrN6O2 MolecularWeight: 475.38208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN6O2/c1-14(2)12-26-8-10-27(11-9-26)20-23-18-17(19(29)24-21(30)25(18)3)28(20)13-15-4-6-16(22)7-5-15/h4-7,14H,8-13H2,1-3H3,(H,24,29,30)