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

Systemtic Name: 3-azanyl-5-[2-(3-oxidanylbutylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Openeye Name: 3-amino-5-[2-(3-hydroxybutylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one CAS Name: 3-amino-5-[[2-(3-hydroxybutylamino)-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]oxy]-1H-quinoxalin-2-one IUPAC Name: 3-amino-5-[2-(3-hydroxybutylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Traditional Name: 3-amino-5-[2-(3-hydroxybutylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one Formula: C23H21F3N6O3 MolecularWeight: 486.44645

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=NC(=CC(=N1)OC2=CC=CC3=C2N=C(C(=O)N3)N)C4=CC=C(C=C4)C(F)(F)F)O

Isomeric SMILES

CC(CCNC1=NC(=CC(=N1)OC2=CC=CC3=C2N=C(C(=O)N3)N)C4=CC=C(C=C4)C(F)(F)F)O

InChI

InChI=1S/C23H21F3N6O3/c1-12(33)9-10-28-22-30-16(13-5-7-14(8-6-13)23(24,25)26)11-18(31-22)35-17-4-2-3-15-19(17)32-20(27)21(34)29-15/h2-8,11-12,33H,9-10H2,1H3,(H2,27,32)(H,29,34)(H,28,30,31)