methyl 4-fluoranyl-3-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Openeye Name: methyl 4-fluoro-3-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 4-fluoro-3-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 4-fluoro-3-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoic acid methyl ester Formula: C17H16FN5O4 MolecularWeight: 373.338443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=C(C=CC(=C3)C(=O)OC)F

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=C(C=CC(=C3)C(=O)OC)F

InChI

InChI=1S/C17H16FN5O4/c1-22-15-11(8-20-22)16(25)23(9-19-15)6-5-14(24)21-13-7-10(17(26)27-2)3-4-12(13)18/h3-4,7-9H,5-6H2,1-2H3,(H,21,24)