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

Systemtic Name: 4-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[7-(4-bromobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]-N-phenyl-piperazine-1-carboxamide Formula: C25H26BrN7O3 MolecularWeight: 552.42304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)NC4=CC=CC=C4)CC5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)NC4=CC=CC=C4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H26BrN7O3/c1-29-21-20(22(34)30(2)25(29)36)33(16-17-8-10-18(26)11-9-17)23(28-21)31-12-14-32(15-13-31)24(35)27-19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3,(H,27,35)