ethyl 8-butoxy-7-(2-hydroxyethyl)-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate

Systemtic Name: ethyl 8-butoxy-7-(2-hydroxyethyl)-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate Openeye Name: ethyl 8-butoxy-7-(2-hydroxyethyl)-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate CAS Name: 8-butoxy-7-(2-hydroxyethyl)-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 8-butoxy-7-(2-hydroxyethyl)-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate Traditional Name: 8-butoxy-7-(2-hydroxyethyl)-4-keto-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=NC3=C(C=C2C=C1CCO)C(=O)N=C(N3)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC2=NC3=C(C=C2C=C1CCO)C(=O)N=C(N3)C(=O)OCC

InChI

InChI=1S/C20H23N3O5/c1-3-5-8-28-16-11-15-13(9-12(16)6-7-24)10-14-17(21-15)22-18(23-19(14)25)20(26)27-4-2/h9-11,24H,3-8H2,1-2H3,(H,21,22,23,25)