N-[(3-fluorophenyl)methyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-[(3-fluorophenyl)methyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[(3-fluorophenyl)methyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-[(3-fluorophenyl)methyl]-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(3-fluorobenzyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C16H16FN5O2 MolecularWeight: 329.328943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCC3=CC(=CC=C3)F

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCC3=CC(=CC=C3)F

InChI

InChI=1S/C16H16FN5O2/c1-21-15-13(9-20-21)16(24)22(10-19-15)6-5-14(23)18-8-11-3-2-4-12(17)7-11/h2-4,7,9-10H,5-6,8H2,1H3,(H,18,23)