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

Systemtic Name: 3-azanyl-5-[6-[2-azanyl-6-(trifluoromethyl)pyridin-3-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Openeye Name: 3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridyl]-2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one CAS Name: 3-amino-5-[[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]-4-pyrimidinyl]oxy]-1H-quinoxalin-2-one IUPAC Name: 3-amino-5-[6-[2-amino-6-(trifluoromethyl)pyridin-3-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Traditional Name: 3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridyl]-2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Formula: C22H21F3N8O3 MolecularWeight: 502.44915

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC(=CC(=N1)OC2=CC=CC3=C2N=C(C(=O)N3)N)C4=C(N=C(C=C4)C(F)(F)F)N

Isomeric SMILES

C[C@@H](COC)NC1=NC(=CC(=N1)OC2=CC=CC3=C2N=C(C(=O)N3)N)C4=C(N=C(C=C4)C(F)(F)F)N

InChI

InChI=1S/C22H21F3N8O3/c1-10(9-35-2)28-21-30-13(11-6-7-15(22(23,24)25)31-18(11)26)8-16(32-21)36-14-5-3-4-12-17(14)33-19(27)20(34)29-12/h3-8,10H,9H2,1-2H3,(H2,26,31)(H2,27,33)(H,29,34)(H,28,30,32)/t10-/m0/s1