[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C28H23N5O2S MolecularWeight: 493.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)NC4=NC(=NC(=C4)C5=CC=CC=C5)SC)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)NC4=NC(=NC(=C4)C5=CC=CC=C5)SC)N=C1C

InChI

InChI=1S/C28H23N5O2S/c1-17-18(2)30-25-14-20(12-13-23(25)29-17)27(34)35-22-11-7-10-21(15-22)31-26-16-24(32-28(33-26)36-3)19-8-5-4-6-9-19/h4-16H,1-3H3,(H,31,32,33)