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

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(3-phenylpropyl)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[2,6-diketo-1,3-dimethyl-7-(3-phenylpropyl)purin-8-yl]isonipecotamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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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)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)C(=O)N)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O3/c1-25-19-17(20(30)26(2)22(25)31)28(12-6-9-15-7-4-3-5-8-15)21(24-19)27-13-10-16(11-14-27)18(23)29/h3-5,7-8,16H,6,9-14H2,1-2H3,(H2,23,29)