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

Systemtic Name: 1-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]-4-piperidin-1-yl-piperidine-4-carboxamide Openeye Name: 1-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]-4-(1-piperidyl)piperidine-4-carboxamide CAS Name: 1-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]-4-(1-piperidinyl)-4-piperidinecarboxamide IUPAC Name: 1-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]-4-piperidin-1-ylpiperidine-4-carboxamide Traditional Name: 1-[7-(4-bromobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]-4-piperidino-isonipecotamide Formula: C25H32BrN7O3 MolecularWeight: 558.47068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)(C(=O)N)N4CCCCC4)CC5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)(C(=O)N)N4CCCCC4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H32BrN7O3/c1-29-20-19(21(34)30(2)24(29)36)33(16-17-6-8-18(26)9-7-17)23(28-20)31-14-10-25(11-15-31,22(27)35)32-12-4-3-5-13-32/h6-9H,3-5,10-16H2,1-2H3,(H2,27,35)