1-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide

Systemtic Name: 1-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[7-(4-bromobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]isonipecotamide Formula: C20H23BrN6O3 MolecularWeight: 475.33902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)C(=O)N)CC4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)C(=O)N)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H23BrN6O3/c1-24-17-15(18(29)25(2)20(24)30)27(11-12-3-5-14(21)6-4-12)19(23-17)26-9-7-13(8-10-26)16(22)28/h3-6,13H,7-11H2,1-2H3,(H2,22,28)