N-[4,6-bis[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-3-fluoranyl-4-methoxy-benzamide

Systemtic Name: N-[4,6-bis[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-3-fluoranyl-4-methoxy-benzamide Openeye Name: N-[4,6-bis[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-3-fluoro-4-methoxy-benzamide CAS Name: N-[4,6-bis[(3S)-3-methyl-4-morpholinyl]-2-pyrimidinyl]-3-fluoro-4-methoxybenzamide IUPAC Name: N-[4,6-bis[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-3-fluoro-4-methoxybenzamide Traditional Name: N-[4,6-bis[(3S)-3-methylmorpholino]pyrimidin-2-yl]-3-fluoro-4-methoxy-benzamide Formula: C22H28FN5O4 MolecularWeight: 445.487223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1COCCN1C2=CC(=NC(=N2)NC(=O)C3=CC(=C(C=C3)OC)F)N4CCOCC4C

Isomeric SMILES

C[C@H]1COCCN1C2=CC(=NC(=N2)NC(=O)C3=CC(=C(C=C3)OC)F)N4CCOC[C@@H]4C

InChI

InChI=1S/C22H28FN5O4/c1-14-12-31-8-6-27(14)19-11-20(28-7-9-32-13-15(28)2)25-22(24-19)26-21(29)16-4-5-18(30-3)17(23)10-16/h4-5,10-11,14-15H,6-9,12-13H2,1-3H3,(H,24,25,26,29)/t14-,15-/m0/s1