7-(4-chlorophenyl)-4-(2-methylpropylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 7-(4-chlorophenyl)-4-(2-methylpropylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(4-chlorophenyl)-4-isobutylsulfanyl-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-chlorophenyl)-4-(2-methylpropylthio)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(4-chlorophenyl)-4-(2-methylpropylsulfanyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(4-chlorophenyl)-4-(isobutylthio)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C22H20ClN3S MolecularWeight: 393.9323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)CSC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3S/c1-15(2)13-27-22-20-19(16-6-4-3-5-7-16)12-26(21(20)24-14-25-22)18-10-8-17(23)9-11-18/h3-12,14-15H,13H2,1-2H3