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

Systemtic Name: 7-(4-bromophenyl)-4-[(4-methylphenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(4-bromophenyl)-5-phenyl-4-(p-tolylmethylsulfanyl)pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-bromophenyl)-4-[(4-methylphenyl)methylthio]-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(4-bromophenyl)-4-[(4-methylphenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(4-bromophenyl)-4-[(4-methylbenzyl)thio]-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C26H20BrN3S MolecularWeight: 486.4261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20BrN3S/c1-18-7-9-19(10-8-18)16-31-26-24-23(20-5-3-2-4-6-20)15-30(25(24)28-17-29-26)22-13-11-21(27)12-14-22/h2-15,17H,16H2,1H3