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

Systemtic Name: [3-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 2-methylquinoline-4-carboxylate Openeye Name: [3-[(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)amino]phenyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [3-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-benzylsulfanyl-6-methylpyrimidin-4-yl)amino]phenyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [3-[[2-(benzylthio)-6-methyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C29H24N4O2S MolecularWeight: 492.59146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC(=CC=C3)OC(=O)C4=CC(=NC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC(=CC=C3)OC(=O)C4=CC(=NC5=CC=CC=C54)C

InChI

InChI=1S/C29H24N4O2S/c1-19-15-25(24-13-6-7-14-26(24)30-19)28(34)35-23-12-8-11-22(17-23)32-27-16-20(2)31-29(33-27)36-18-21-9-4-3-5-10-21/h3-17H,18H2,1-2H3,(H,31,32,33)