[4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4H-quinoxalin-2-yl)propanoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4H-quinoxalin-2-yl)propionic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)CCC3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)CCC3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H19N5O3/c1-14-12-20(24-13-23-14)25-15-6-8-16(9-7-15)30-21(28)11-10-19-22(29)27-18-5-3-2-4-17(18)26-19/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,23,24,25)