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

Systemtic Name: 7-(3-chloranyl-4-methyl-phenyl)-4-[(4-methylphenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(3-chloro-4-methyl-phenyl)-5-phenyl-4-(p-tolylmethylsulfanyl)pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-chloro-4-methylphenyl)-4-[(4-methylphenyl)methylthio]-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-chloro-4-methylphenyl)-4-[(4-methylphenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(3-chloro-4-methyl-phenyl)-4-[(4-methylbenzyl)thio]-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C27H22ClN3S MolecularWeight: 456.00168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=NC3=C2C(=CN3C4=CC(=C(C=C4)C)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=NC3=C2C(=CN3C4=CC(=C(C=C4)C)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H22ClN3S/c1-18-8-11-20(12-9-18)16-32-27-25-23(21-6-4-3-5-7-21)15-31(26(25)29-17-30-27)22-13-10-19(2)24(28)14-22/h3-15,17H,16H2,1-2H3