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

Systemtic Name: 7-(4-chlorophenyl)-5-phenyl-4-(phenylmethylsulfanyl)pyrrolo[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-7-(4-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-chlorophenyl)-5-phenyl-4-(phenylmethylthio)pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-7-(4-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C25H18ClN3S MolecularWeight: 427.94852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H18ClN3S/c26-20-11-13-21(14-12-20)29-15-22(19-9-5-2-6-10-19)23-24(29)27-17-28-25(23)30-16-18-7-3-1-4-8-18/h1-15,17H,16H2