N-[(1S)-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-4-[2-(cyclopropylamino)-5-fluoranyl-pyrimidin-4-yl]benzamide

Systemtic Name: N-[(1S)-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-4-[2-(cyclopropylamino)-5-fluoranyl-pyrimidin-4-yl]benzamide Openeye Name: N-[(1S)-1-(3-chlorophenyl)-2-hydroxy-ethyl]-4-[2-(cyclopropylamino)-5-fluoro-pyrimidin-4-yl]benzamide CAS Name: N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-fluoro-4-pyrimidinyl]benzamide IUPAC Name: N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]benzamide Traditional Name: N-[(1S)-1-(3-chlorophenyl)-2-hydroxy-ethyl]-4-[2-(cyclopropylamino)-5-fluoro-pyrimidin-4-yl]benzamide Formula: C22H20ClFN4O2 MolecularWeight: 426.871203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC=C(C(=N2)C3=CC=C(C=C3)C(=O)NC(CO)C4=CC(=CC=C4)Cl)F

Isomeric SMILES

C1CC1NC2=NC=C(C(=N2)C3=CC=C(C=C3)C(=O)N[C@H](CO)C4=CC(=CC=C4)Cl)F

InChI

InChI=1S/C22H20ClFN4O2/c23-16-3-1-2-15(10-16)19(12-29)27-21(30)14-6-4-13(5-7-14)20-18(24)11-25-22(28-20)26-17-8-9-17/h1-7,10-11,17,19,29H,8-9,12H2,(H,27,30)(H,25,26,28)/t19-/m1/s1