(3S)-N-[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-[2-(6-ethyl-4-keto-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-1-(4-fluorophenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H21FN6O3 MolecularWeight: 424.428243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)[C@H]3CC(=O)N(C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN6O3/c1-3-15-10-18(29)25-21(23-15)28-17(8-12(2)26-28)24-20(31)13-9-19(30)27(11-13)16-6-4-14(22)5-7-16/h4-8,10,13H,3,9,11H2,1-2H3,(H,24,31)(H,23,25,29)/t13-/m0/s1