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

Systemtic Name: 7-(4-bromophenyl)-4-[(3-fluorophenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(4-bromophenyl)-4-[(3-fluorophenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-bromophenyl)-4-[(3-fluorophenyl)methylthio]-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(4-bromophenyl)-4-[(3-fluorophenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(4-bromophenyl)-4-[(3-fluorobenzyl)thio]-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C25H17BrFN3S MolecularWeight: 490.389983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)SCC4=CC(=CC=C4)F)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)SCC4=CC(=CC=C4)F)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H17BrFN3S/c26-19-9-11-21(12-10-19)30-14-22(18-6-2-1-3-7-18)23-24(30)28-16-29-25(23)31-15-17-5-4-8-20(27)13-17/h1-14,16H,15H2