butyl 4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate

Systemtic Name: butyl 4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate Openeye Name: butyl 4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate CAS Name: 4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid butyl ester IUPAC Name: butyl 4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate Traditional Name: 4-keto-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid butyl ester Formula: C16H15N3O3 MolecularWeight: 297.3086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NC(=O)C2=CC3=CC=CC=C3N=C2N1

Isomeric SMILES

CCCCOC(=O)C1=NC(=O)C2=CC3=CC=CC=C3N=C2N1

InChI

InChI=1S/C16H15N3O3/c1-2-3-8-22-16(21)14-18-13-11(15(20)19-14)9-10-6-4-5-7-12(10)17-13/h4-7,9H,2-3,8H2,1H3,(H,17,18,19,20)