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

Systemtic Name: 4-[(2-chlorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-[(2-chlorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-[(2-chlorophenyl)methylthio]-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-[(2-chlorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-[(2-chlorobenzyl)thio]-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C26H20ClN3OS MolecularWeight: 457.9745

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4Cl)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H20ClN3OS/c1-31-21-13-11-20(12-14-21)30-15-22(18-7-3-2-4-8-18)24-25(30)28-17-29-26(24)32-16-19-9-5-6-10-23(19)27/h2-15,17H,16H2,1H3