[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] naphthalene-1-carboxylate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] naphthalene-1-carboxylate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C28H21N3O2S MolecularWeight: 463.55024

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O2S/c1-34-28-30-25(20-10-3-2-4-11-20)18-26(31-28)29-21-13-8-14-22(17-21)33-27(32)24-16-7-12-19-9-5-6-15-23(19)24/h2-18H,1H3,(H,29,30,31)