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

Systemtic Name: 1-[3-methyl-7-nonyl-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)piperidine-4-carboxamide CAS Name: 1-(3-methyl-7-nonyl-2,6-dioxo-8-purinyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)piperidine-4-carboxamide Traditional Name: 1-(2,6-diketo-3-methyl-7-nonyl-purin-8-yl)isonipecotamide Formula: C21H34N6O3 MolecularWeight: 418.53306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H34N6O3/c1-3-4-5-6-7-8-9-12-27-16-18(25(2)21(30)24-19(16)29)23-20(27)26-13-10-15(11-14-26)17(22)28/h15H,3-14H2,1-2H3,(H2,22,28)(H,24,29,30)