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

Systemtic Name: 7-(4-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(4-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-ethoxyphenyl)-4-[(4-fluorophenyl)methylthio]-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(4-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-[(4-fluorobenzyl)thio]-5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidine Formula: C27H22FN3OS MolecularWeight: 455.546483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H22FN3OS/c1-2-32-23-14-12-22(13-15-23)31-16-24(20-6-4-3-5-7-20)25-26(31)29-18-30-27(25)33-17-19-8-10-21(28)11-9-19/h3-16,18H,2,17H2,1H3