4-oxidanylidene-7-[3-(pyrimidin-2-ylamino)propoxy]quinolizine-2-carboxylic acid

Systemtic Name: 4-oxidanylidene-7-[3-(pyrimidin-2-ylamino)propoxy]quinolizine-2-carboxylic acid Openeye Name: 4-oxo-7-[3-(pyrimidin-2-ylamino)propoxy]quinolizine-2-carboxylic acid CAS Name: 4-oxo-7-[3-(2-pyrimidinylamino)propoxy]-2-quinolizinecarboxylic acid IUPAC Name: 4-oxo-7-[3-(pyrimidin-2-ylamino)propoxy]quinolizine-2-carboxylic acid Traditional Name: 4-keto-7-[3-(2-pyrimidylamino)propoxy]quinolizine-2-carboxylic acid Formula: C17H16N4O4 MolecularWeight: 340.33334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NCCCOC2=CN3C(=CC(=CC3=O)C(=O)O)C=C2

Isomeric SMILES

C1=CN=C(N=C1)NCCCOC2=CN3C(=CC(=CC3=O)C(=O)O)C=C2

InChI

InChI=1S/C17H16N4O4/c22-15-10-12(16(23)24)9-13-3-4-14(11-21(13)15)25-8-2-7-20-17-18-5-1-6-19-17/h1,3-6,9-11H,2,7-8H2,(H,23,24)(H,18,19,20)