N-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2-oxidanyl-undecyl]-N-octyl-ethanamide

Systemtic Name: N-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2-oxidanyl-undecyl]-N-octyl-ethanamide Openeye Name: N-[11-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-2-hydroxy-undecyl]-N-octyl-acetamide CAS Name: N-[11-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-hydroxyundecyl]-N-octylacetamide IUPAC Name: N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-octylacetamide Traditional Name: N-[11-(2,6-diketo-3,7-dimethyl-purin-1-yl)-2-hydroxy-undecyl]-N-octyl-acetamide Formula: C28H49N5O4 MolecularWeight: 519.71976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)C(=O)C

Isomeric SMILES

CCCCCCCCN(CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)C(=O)C

InChI

InChI=1S/C28H49N5O4/c1-5-6-7-8-13-16-19-32(23(2)34)21-24(35)18-15-12-10-9-11-14-17-20-33-27(36)25-26(29-22-30(25)3)31(4)28(33)37/h22,24,35H,5-21H2,1-4H3