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

Systemtic Name: 7-(3-chlorophenyl)-4-[(2-methylphenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(3-chlorophenyl)-4-(o-tolylmethylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-chlorophenyl)-4-[(2-methylphenyl)methylthio]-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-chlorophenyl)-4-[(2-methylphenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(3-chlorophenyl)-4-[(2-methylbenzyl)thio]-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C26H20ClN3S MolecularWeight: 441.9751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=NC3=C2C(=CN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=NC3=C2C(=CN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H20ClN3S/c1-18-8-5-6-11-20(18)16-31-26-24-23(19-9-3-2-4-10-19)15-30(25(24)28-17-29-26)22-13-7-12-21(27)14-22/h2-15,17H,16H2,1H3