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

Systemtic Name: [4-[[6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 2-phenylquinoline-4-carboxylate Openeye Name: [4-[(2-benzylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-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-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [4-[[2-(benzylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C39H28N4O2S MolecularWeight: 616.73022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=N2)NC3=CC=C(C=C3)OC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=N2)NC3=CC=C(C=C3)OC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C39H28N4O2S/c44-38(33-24-35(28-14-6-2-7-15-28)41-34-19-11-10-18-32(33)34)45-31-22-20-30(21-23-31)40-37-25-36(29-16-8-3-9-17-29)42-39(43-37)46-26-27-12-4-1-5-13-27/h1-25H,26H2,(H,40,42,43)