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

Systemtic Name: [4-[[6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 2-methylquinoline-4-carboxylate Openeye Name: [4-[(2-benzylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [4-[[6-phenyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-benzylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [4-[[2-(benzylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C34H26N4O2S MolecularWeight: 554.66084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC3=CC=C(C=C3)NC4=NC(=NC(=C4)C5=CC=CC=C5)SCC6=CC=CC=C6

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC3=CC=C(C=C3)NC4=NC(=NC(=C4)C5=CC=CC=C5)SCC6=CC=CC=C6

InChI

InChI=1S/C34H26N4O2S/c1-23-20-29(28-14-8-9-15-30(28)35-23)33(39)40-27-18-16-26(17-19-27)36-32-21-31(25-12-6-3-7-13-25)37-34(38-32)41-22-24-10-4-2-5-11-24/h2-21H,22H2,1H3,(H,36,37,38)