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

Systemtic Name: 1-[7-hexadecyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-(7-hexadecyl-3-methyl-2,6-dioxo-purin-8-yl)piperidine-4-carboxamide CAS Name: 1-(7-hexadecyl-3-methyl-2,6-dioxo-8-purinyl)-4-piperidinecarboxamide IUPAC Name: 1-(7-hexadecyl-3-methyl-2,6-dioxopurin-8-yl)piperidine-4-carboxamide Traditional Name: 1-(7-cetyl-2,6-diketo-3-methyl-purin-8-yl)isonipecotamide Formula: C28H48N6O3 MolecularWeight: 516.71912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)NC2=O)C

InChI

InChI=1S/C28H48N6O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-34-23-25(32(2)28(37)31-26(23)36)30-27(34)33-20-17-22(18-21-33)24(29)35/h22H,3-21H2,1-2H3,(H2,29,35)(H,31,36,37)