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

Systemtic Name: [3-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] pyridine-3-carboxylate Openeye Name: [3-[(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)amino]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-benzylsulfanyl-6-methylpyrimidin-4-yl)amino]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-[[2-(benzylthio)-6-methyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C24H20N4O2S MolecularWeight: 428.5062

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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=CN=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC(=CC=C3)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H20N4O2S/c1-17-13-22(28-24(26-17)31-16-18-7-3-2-4-8-18)27-20-10-5-11-21(14-20)30-23(29)19-9-6-12-25-15-19/h2-15H,16H2,1H3,(H,26,27,28)