4-[(3-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-[(3-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-[(3-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-[(3-fluorophenyl)methylthio]-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-[(3-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-[(3-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C26H20FN3OS MolecularWeight: 441.519903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC(=CC=C4)F)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC(=CC=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C26H20FN3OS/c1-31-22-12-10-21(11-13-22)30-15-23(19-7-3-2-4-8-19)24-25(30)28-17-29-26(24)32-16-18-6-5-9-20(27)14-18/h2-15,17H,16H2,1H3