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

Systemtic Name: 7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-4-(phenylmethylsulfanyl)pyrrolo[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-chloro-4-methylphenyl)-5-phenyl-4-(phenylmethylthio)pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C26H20ClN3S MolecularWeight: 441.9751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

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