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

Systemtic Name: 1-[3-methyl-2,6-bis(oxidanylidene)-7-(3-phenylpropyl)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[2,6-diketo-3-methyl-7-(3-phenylpropyl)purin-8-yl]isonipecotamide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CCCC4=CC=CC=C4

InChI

InChI=1S/C21H26N6O3/c1-25-18-16(19(29)24-21(25)30)27(11-5-8-14-6-3-2-4-7-14)20(23-18)26-12-9-15(10-13-26)17(22)28/h2-4,6-7,15H,5,8-13H2,1H3,(H2,22,28)(H,24,29,30)