2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(E)-1-naphthalen-2-ylethylideneamino]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(E)-1-naphthalen-2-ylethylideneamino]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(E)-1-(2-naphthyl)ethylideneamino]acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(E)-1-(2-naphthalenyl)ethylideneamino]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[(E)-1-(2-naphthyl)ethylideneamino]acetamide Formula: C21H20N6O3 MolecularWeight: 404.4219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=N\NC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N6O3/c1-13(15-9-8-14-6-4-5-7-16(14)10-15)23-24-17(28)11-27-12-22-19-18(27)20(29)26(3)21(30)25(19)2/h4-10,12H,11H2,1-3H3,(H,24,28)/b23-13+