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

Systemtic Name: [4-[[6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(2-benzylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[[6-phenyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-benzylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[[2-(benzylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C29H22N4O2S MolecularWeight: 490.57558

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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=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=N2)NC3=CC=C(C=C3)OC(=O)C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H22N4O2S/c34-28(23-12-7-17-30-19-23)35-25-15-13-24(14-16-25)31-27-18-26(22-10-5-2-6-11-22)32-29(33-27)36-20-21-8-3-1-4-9-21/h1-19H,20H2,(H,31,32,33)