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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=C(C3=C2N=CN=C3SCC4=CC(=CC=C4)F)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C3=C2N=CN=C3SCC4=CC(=CC=C4)F)C5=CC=CC=C5

InChI

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