[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-thiophen-2-ylethanoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-thiophen-2-ylethanoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(2-thienyl)acetate CAS Name: 2-thiophen-2-ylacetic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-thiophen-2-ylacetate Traditional Name: 2-(2-thienyl)acetic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)CC4=CC=CS4

InChI

InChI=1S/C22H17N3O2S/c26-22(13-19-7-4-12-28-19)27-18-10-8-17(9-11-18)25-21-14-20(23-15-24-21)16-5-2-1-3-6-16/h1-12,14-15H,13H2,(H,23,24,25)