butyl 8-methoxy-7-oxidanyl-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate

Systemtic Name: butyl 8-methoxy-7-oxidanyl-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate Openeye Name: butyl 7-hydroxy-8-methoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate CAS Name: 7-hydroxy-8-methoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid butyl ester IUPAC Name: butyl 7-hydroxy-8-methoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate Traditional Name: 7-hydroxy-4-keto-8-methoxy-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid butyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NC(=O)C2=C(N1)N=C3C=C(C(=CC3=C2)O)OC

Isomeric SMILES

CCCCOC(=O)C1=NC(=O)C2=C(N1)N=C3C=C(C(=CC3=C2)O)OC

InChI

InChI=1S/C17H17N3O5/c1-3-4-5-25-17(23)15-19-14-10(16(22)20-15)6-9-7-12(21)13(24-2)8-11(9)18-14/h6-8,21H,3-5H2,1-2H3,(H,18,19,20,22)