butyl 4-[2-(4-oxidanylidenepyrido[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(4-oxidanylidenepyrido[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-oxo-3-pyrido[2,3-d]pyrimidinyl)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-ketopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid butyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC=N3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC=N3

InChI

InChI=1S/C20H20N4O4/c1-2-3-11-28-20(27)14-6-8-15(9-7-14)23-17(25)12-24-13-22-18-16(19(24)26)5-4-10-21-18/h4-10,13H,2-3,11-12H2,1H3,(H,23,25)