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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-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-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-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-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O3S/c1-14-13-20(28-23(24-14)32-2)25-15-7-9-16(10-8-15)31-21(29)12-11-19-22(30)27-18-6-4-3-5-17(18)26-19/h3-10,13H,11-12H2,1-2H3,(H,27,30)(H,24,25,28)