[3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-methylquinoline-4-carboxylate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C23H20N4O2S/c1-14-11-19(18-9-4-5-10-20(18)24-14)22(28)29-17-8-6-7-16(13-17)26-21-12-15(2)25-23(27-21)30-3/h4-13H,1-3H3,(H,25,26,27)