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

Systemtic Name: [4-[[6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] thiophene-2-carboxylate Openeye Name: [4-[(2-benzylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[[6-phenyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-benzylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[[2-(benzylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C28H21N3O2S2 MolecularWeight: 495.61524

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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=CS4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=N2)NC3=CC=C(C=C3)OC(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O2S2/c32-27(25-12-7-17-34-25)33-23-15-13-22(14-16-23)29-26-18-24(21-10-5-2-6-11-21)30-28(31-26)35-19-20-8-3-1-4-9-20/h1-18H,19H2,(H,29,30,31)