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

Systemtic Name: 1-[3-methyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-(3-methyl-7-octyl-2,6-dioxo-purin-8-yl)piperidine-4-carboxamide CAS Name: 1-(3-methyl-7-octyl-2,6-dioxo-8-purinyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)piperidine-4-carboxamide Traditional Name: 1-(2,6-diketo-3-methyl-7-octyl-purin-8-yl)isonipecotamide Formula: C20H32N6O3 MolecularWeight: 404.50648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H32N6O3/c1-3-4-5-6-7-8-11-26-15-17(24(2)20(29)23-18(15)28)22-19(26)25-12-9-14(10-13-25)16(21)27/h14H,3-13H2,1-2H3,(H2,21,27)(H,23,28,29)