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

Systemtic Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-7-[(3-bromophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-7-[(3-bromophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-7-(3-bromobenzyl)-3-methyl-xanthine Formula: C25H26BrN5O2 MolecularWeight: 508.41024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC5=CC(=CC=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC5=CC(=CC=C5)Br

InChI

InChI=1S/C25H26BrN5O2/c1-29-22-21(23(32)28-25(29)33)31(16-19-8-5-9-20(26)15-19)24(27-22)30-12-10-18(11-13-30)14-17-6-3-2-4-7-17/h2-9,15,18H,10-14,16H2,1H3,(H,28,32,33)