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

Systemtic Name: 4-butylsulfanyl-7-(3-fluorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-butylsulfanyl-7-(3-fluorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(butylthio)-7-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-butylsulfanyl-7-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(butylthio)-7-(3-fluorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C22H20FN3S MolecularWeight: 377.477703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=NC2=C1C(=CN2C3=CC(=CC=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=NC=NC2=C1C(=CN2C3=CC(=CC=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C22H20FN3S/c1-2-3-12-27-22-20-19(16-8-5-4-6-9-16)14-26(21(20)24-15-25-22)18-11-7-10-17(23)13-18/h4-11,13-15H,2-3,12H2,1H3