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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4Cl)C5=CC=CC=C5

InChI

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