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

Systemtic Name: 7-(4-ethoxyphenyl)-4-pentylsulfanyl-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(4-ethoxyphenyl)-4-pentylsulfanyl-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-ethoxyphenyl)-4-(pentylthio)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(4-ethoxyphenyl)-4-pentylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(amylthio)-5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidine Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCCSC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)OCC)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3OS/c1-3-5-9-16-30-25-23-22(19-10-7-6-8-11-19)17-28(24(23)26-18-27-25)20-12-14-21(15-13-20)29-4-2/h6-8,10-15,17-18H,3-5,9,16H2,1-2H3