2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-8-yl]phenoxy]-N-hexyl-ethanamide

Systemtic Name: 2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-8-yl]phenoxy]-N-hexyl-ethanamide Openeye Name: 2-[4-(1,3-dimethyl-2,6-dioxo-purin-3-ium-8-yl)phenoxy]-N-hexyl-acetamide CAS Name: 2-[4-(1,3-dimethyl-2,6-dioxo-8-purin-3-iumyl)phenoxy]-N-hexylacetamide IUPAC Name: 2-[4-(1,3-dimethyl-2,6-dioxopurin-3-ium-8-yl)phenoxy]-N-hexylacetamide Traditional Name: 2-[4-(2,6-diketo-1,3-dimethyl-purin-3-ium-8-yl)phenoxy]-N-hexyl-acetamide Formula: C21H26N5O4+ MolecularWeight: 412.46224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC1=CC=C(C=C1)C2=NC3=[N+](C(=O)N(C(=O)C3=N2)C)C

Isomeric SMILES

CCCCCCNC(=O)COC1=CC=C(C=C1)C2=NC3=[N+](C(=O)N(C(=O)C3=N2)C)C

InChI

InChI=1S/C21H25N5O4/c1-4-5-6-7-12-22-16(27)13-30-15-10-8-14(9-11-15)18-23-17-19(24-18)25(2)21(29)26(3)20(17)28/h8-11H,4-7,12-13H2,1-3H3/p+1