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

Systemtic Name: 7-(4-bromophenyl)-4-[(3-methylphenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(4-bromophenyl)-4-(m-tolylmethylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-bromophenyl)-4-[(3-methylphenyl)methylthio]-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(4-bromophenyl)-4-[(3-methylphenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(4-bromophenyl)-4-[(3-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(=CC=C1)CSC2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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