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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Br)C

Isomeric SMILES

CN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Br)C

InChI

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