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

Systemtic Name: 3-azanyl-5-[2-azanyl-6-[2-azanyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Openeye Name: 3-amino-5-[2-amino-6-[2-amino-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one CAS Name: 3-amino-5-[[2-amino-6-[2-amino-4-(trifluoromethyl)phenyl]-4-pyrimidinyl]oxy]-1H-quinoxalin-2-one IUPAC Name: 3-amino-5-[2-amino-6-[2-amino-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Traditional Name: 3-amino-5-[2-amino-6-[2-amino-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Formula: C19H14F3N7O2 MolecularWeight: 429.35537

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC3=NC(=NC(=C3)C4=C(C=C(C=C4)C(F)(F)F)N)N)N=C(C(=O)N2)N

Isomeric SMILES

C1=CC2=C(C(=C1)OC3=NC(=NC(=C3)C4=C(C=C(C=C4)C(F)(F)F)N)N)N=C(C(=O)N2)N

InChI

InChI=1S/C19H14F3N7O2/c20-19(21,22)8-4-5-9(10(23)6-8)12-7-14(28-18(25)27-12)31-13-3-1-2-11-15(13)29-16(24)17(30)26-11/h1-7H,23H2,(H2,24,29)(H,26,30)(H2,25,27,28)