4-ethyl-9-oxidanylidene-6H-[1,3]benzodioxolo[5,6-g]pteridine-7-carboxylate

Systemtic Name: 4-ethyl-9-oxidanylidene-6H-[1,3]benzodioxolo[5,6-g]pteridine-7-carboxylate Openeye Name: 4-ethyl-9-oxo-6H-[1,3]benzodioxolo[5,6-g]pteridine-7-carboxylate CAS Name: 4-ethyl-9-oxo-6H-[1,3]benzodioxolo[5,6-g]pteridine-7-carboxylate IUPAC Name: 4-ethyl-9-oxo-6H-[1,3]benzodioxolo[5,6-g]pteridine-7-carboxylate Traditional Name: 4-ethyl-9-keto-6H-[1,3]benzodioxolo[5,6-g]pteridine-7-carboxylate Formula: C14H9N4O5- MolecularWeight: 313.24506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC3=C1OCO3)N=C4C(=N2)NC(=NC4=O)C(=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC3=C1OCO3)N=C4C(=N2)NC(=NC4=O)C(=O)[O-]

InChI

InChI=1S/C14H10N4O5/c1-2-5-8-6(3-7-10(5)23-4-22-7)15-9-11(16-8)17-12(14(20)21)18-13(9)19/h3H,2,4H2,1H3,(H,20,21)(H,16,17,18,19)/p-1