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

Systemtic Name: 2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-8-yl]phenoxy]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[4-(1,3-dimethyl-2,6-dioxo-purin-3-ium-8-yl)phenoxy]-N-(2-pyridyl)acetamide CAS Name: 2-[4-(1,3-dimethyl-2,6-dioxo-8-purin-3-iumyl)phenoxy]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[4-(1,3-dimethyl-2,6-dioxopurin-3-ium-8-yl)phenoxy]-N-pyridin-2-ylacetamide Traditional Name: 2-[4-(2,6-diketo-1,3-dimethyl-purin-3-ium-8-yl)phenoxy]-N-(2-pyridyl)acetamide Formula: C20H17N6O4+ MolecularWeight: 405.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)C3=CC=C(C=C3)OCC(=O)NC4=CC=CC=N4

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)C3=CC=C(C=C3)OCC(=O)NC4=CC=CC=N4

InChI

InChI=1S/C20H16N6O4/c1-25-18-16(19(28)26(2)20(25)29)23-17(24-18)12-6-8-13(9-7-12)30-11-15(27)22-14-5-3-4-10-21-14/h3-10H,11H2,1-2H3/p+1