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

Systemtic Name: 3-azanyl-5-[2-azanyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Openeye Name: 3-amino-5-[2-amino-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one CAS Name: 3-amino-5-[[2-amino-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]oxy]-1H-quinoxalin-2-one IUPAC Name: 3-amino-5-[2-amino-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Traditional Name: 3-amino-5-[2-amino-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Formula: C19H13F3N6O2 MolecularWeight: 414.34073

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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)N)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)N)N=C(C(=O)N2)N

InChI

InChI=1S/C19H13F3N6O2/c20-19(21,22)10-6-4-9(5-7-10)12-8-14(27-18(24)26-12)30-13-3-1-2-11-15(13)28-16(23)17(29)25-11/h1-8H,(H2,23,28)(H,25,29)(H2,24,26,27)