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

Systemtic Name: 7-(3-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(3-fluorophenyl)-4-(m-tolylmethylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-fluorophenyl)-4-[(3-methylphenyl)methylthio]-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(3-fluorophenyl)-4-[(3-methylbenzyl)thio]-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C26H20FN3S MolecularWeight: 425.520503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=NC3=C2C(=CN3C4=CC(=CC=C4)F)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=NC3=C2C(=CN3C4=CC(=CC=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C26H20FN3S/c1-18-7-5-8-19(13-18)16-31-26-24-23(20-9-3-2-4-10-20)15-30(25(24)28-17-29-26)22-12-6-11-21(27)14-22/h2-15,17H,16H2,1H3