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

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] thiophene-2-carboxylate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C22H17N3O2S MolecularWeight: 387.45428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O2S/c1-15-23-19(16-6-3-2-4-7-16)14-21(24-15)25-17-9-11-18(12-10-17)27-22(26)20-8-5-13-28-20/h2-14H,1H3,(H,23,24,25)