(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate CAS Name: 3-(2,5,7-trimethyl-6-pyrazolo[1,5-a]pyrimidinyl)propanoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate Traditional Name: 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propionic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C20H22N4O3 MolecularWeight: 366.41368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C(C(=NC2=C1)C)CCC(=O)OC(C3=CC=CC=C3)C(=O)N)C

Isomeric SMILES

CC1=NN2C(=C(C(=NC2=C1)C)CCC(=O)OC(C3=CC=CC=C3)C(=O)N)C

InChI

InChI=1S/C20H22N4O3/c1-12-11-17-22-13(2)16(14(3)24(17)23-12)9-10-18(25)27-19(20(21)26)15-7-5-4-6-8-15/h4-8,11,19H,9-10H2,1-3H3,(H2,21,26)