[3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [3-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [3-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C25H23N5O4S MolecularWeight: 489.54622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C)C)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C)C)SC

InChI

InChI=1S/C25H23N5O4S/c1-5-33-24(32)19-13-26-25(35-4)30-22(19)29-17-7-6-8-18(12-17)34-23(31)16-9-10-20-21(11-16)28-15(3)14(2)27-20/h6-13H,5H2,1-4H3,(H,26,29,30)