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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] thiophene-2-carboxylate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O2S2/c1-28-22-24-18(15-7-3-2-4-8-15)14-20(25-22)23-16-9-5-10-17(13-16)27-21(26)19-11-6-12-29-19/h2-14H,1H3,(H,23,24,25)