N-[(6-chloranyl-2-fluoranyl-3-methyl-phenyl)methyl]-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine

Systemtic Name: N-[(6-chloranyl-2-fluoranyl-3-methyl-phenyl)methyl]-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine Openeye Name: N-[(6-chloro-2-fluoro-3-methyl-phenyl)methyl]-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine CAS Name: N-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-[(3S)-3-phenyl-4-morpholinyl]-2-pyrimidinamine IUPAC Name: N-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine Traditional Name: (6-chloro-2-fluoro-3-methyl-benzyl)-[4-[(3S)-3-phenylmorpholino]pyrimidin-2-yl]amine Formula: C22H22ClFN4O MolecularWeight: 412.887683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)CNC2=NC=CC(=N2)N3CCOCC3C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)CNC2=NC=CC(=N2)N3CCOC[C@@H]3C4=CC=CC=C4)F

InChI

InChI=1S/C22H22ClFN4O/c1-15-7-8-18(23)17(21(15)24)13-26-22-25-10-9-20(27-22)28-11-12-29-14-19(28)16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3,(H,25,26,27)/t19-/m1/s1