7-(2-azanylpyrimidin-4-yl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2-azanylpyrimidin-4-yl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2-aminopyrimidin-4-yl)-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2-amino-4-pyrimidinyl)-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2-aminopyrimidin-4-yl)-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2-aminopyrimidin-4-yl)-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C16H14N4O3 MolecularWeight: 310.30736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=NC(=NC=C3)N)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=NC(=NC=C3)N)C(=O)O

InChI

InChI=1S/C16H14N4O3/c1-2-20-8-11(15(22)23)14(21)10-4-3-9(7-13(10)20)12-5-6-18-16(17)19-12/h3-8H,2H2,1H3,(H,22,23)(H2,17,18,19)