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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4H-quinoxalin-2-yl)propanoic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4H-quinoxalin-2-yl)propionic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C28H23N5O3S MolecularWeight: 509.57892

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4NC3=O)C5=CC=CC=C5

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4NC3=O)C5=CC=CC=C5

InChI

InChI=1S/C28H23N5O3S/c1-37-28-32-24(18-8-3-2-4-9-18)17-25(33-28)29-19-10-7-11-20(16-19)36-26(34)15-14-23-27(35)31-22-13-6-5-12-21(22)30-23/h2-13,16-17H,14-15H2,1H3,(H,31,35)(H,29,32,33)