4-[3-(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)propyl]benzoic acid

Systemtic Name: 4-[3-(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)propyl]benzoic acid Openeye Name: 4-[3-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)propyl]benzoic acid CAS Name: 4-[3-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)propyl]benzoic acid IUPAC Name: 4-[3-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)propyl]benzoic acid Traditional Name: 4-[3-(2-amino-4-keto-1H-pyrido[2,3-d]pyrimidin-6-yl)propyl]benzoic acid Formula: C17H16N4O3 MolecularWeight: 324.33394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC2=CN=C3C(=C2)C(=O)N=C(N3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCC2=CN=C3C(=C2)C(=O)N=C(N3)N)C(=O)O

InChI

InChI=1S/C17H16N4O3/c18-17-20-14-13(15(22)21-17)8-11(9-19-14)3-1-2-10-4-6-12(7-5-10)16(23)24/h4-9H,1-3H2,(H,23,24)(H3,18,19,20,21,22)