4-[5-fluoranyl-2-(propan-2-ylamino)pyrimidin-4-yl]-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]benzamide

Systemtic Name: 4-[5-fluoranyl-2-(propan-2-ylamino)pyrimidin-4-yl]-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]benzamide Openeye Name: 4-[5-fluoro-2-(isopropylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenyl-ethyl]benzamide CAS Name: 4-[5-fluoro-2-(propan-2-ylamino)-4-pyrimidinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide IUPAC Name: 4-[5-fluoro-2-(propan-2-ylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide Traditional Name: 4-[5-fluoro-2-(isopropylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenyl-ethyl]benzamide Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C(C(=N1)C2=CC=C(C=C2)C(=O)NC(CO)C3=CC=CC=C3)F

Isomeric SMILES

CC(C)NC1=NC=C(C(=N1)C2=CC=C(C=C2)C(=O)N[C@H](CO)C3=CC=CC=C3)F

InChI

InChI=1S/C22H23FN4O2/c1-14(2)25-22-24-12-18(23)20(27-22)16-8-10-17(11-9-16)21(29)26-19(13-28)15-6-4-3-5-7-15/h3-12,14,19,28H,13H2,1-2H3,(H,26,29)(H,24,25,27)/t19-/m1/s1