8-(3-azanylpiperidin-1-yl)-7-[(2-bromophenyl)methyl]-3-methyl-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-[(2-bromophenyl)methyl]-3-methyl-1-phenacyl-purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-[(2-bromophenyl)methyl]-3-methyl-1-phenacyl-purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-[(2-bromophenyl)methyl]-3-methyl-1-phenacylpurine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-[(2-bromophenyl)methyl]-3-methyl-1-phenacylpurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-(2-bromobenzyl)-3-methyl-1-phenacyl-xanthine Formula: C26H27BrN6O3 MolecularWeight: 551.43498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5Br

InChI

InChI=1S/C26H27BrN6O3/c1-30-23-22(24(35)33(26(30)36)16-21(34)17-8-3-2-4-9-17)32(14-18-10-5-6-12-20(18)27)25(29-23)31-13-7-11-19(28)15-31/h2-6,8-10,12,19H,7,11,13-16,28H2,1H3