3-azanyl-5-[2-(pyridin-3-ylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one

Systemtic Name: 3-azanyl-5-[2-(pyridin-3-ylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Openeye Name: 3-amino-5-[2-(3-pyridylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one CAS Name: 3-amino-5-[[2-(3-pyridinylmethylamino)-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]oxy]-1H-quinoxalin-2-one IUPAC Name: 3-amino-5-[2-(pyridin-3-ylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Traditional Name: 3-amino-5-[2-(3-pyridylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Formula: C25H18F3N7O2 MolecularWeight: 505.45133

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C(F)(F)F)NCC5=CN=CC=C5)N=C(C(=O)N2)N

Isomeric SMILES

C1=CC2=C(C(=C1)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C(F)(F)F)NCC5=CN=CC=C5)N=C(C(=O)N2)N

InChI

InChI=1S/C25H18F3N7O2/c26-25(27,28)16-8-6-15(7-9-16)18-11-20(34-24(33-18)31-13-14-3-2-10-30-12-14)37-19-5-1-4-17-21(19)35-22(29)23(36)32-17/h1-12H,13H2,(H2,29,35)(H,32,36)(H,31,33,34)