methyl (2S)-2-acetamido-3-(2-oxidanylidene-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-yl)propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-(2-oxidanylidene-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-yl)propanoate Openeye Name: methyl (2S)-2-acetamido-3-(2-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-yl)propanoate CAS Name: (2S)-2-acetamido-3-(2-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-(2-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(2-keto-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-yl)propionic acid methyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=NC2=C(C(=O)NN12)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=NC2=C(C(=O)NN12)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O4/c1-11(23)20-14(18(25)26-2)10-13-8-9-19-16-15(17(24)21-22(13)16)12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H,20,23)(H,21,24)/t14-/m0/s1