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

Systemtic Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-[(2,5-dimethylphenyl)methylthio]-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-[(2,5-dimethylbenzyl)thio]-5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidine Formula: C29H27N3OS MolecularWeight: 465.60918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=C(C=CC(=C4)C)C)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=C(C=CC(=C4)C)C)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3OS/c1-4-33-25-14-12-24(13-15-25)32-17-26(22-8-6-5-7-9-22)27-28(32)30-19-31-29(27)34-18-23-16-20(2)10-11-21(23)3/h5-17,19H,4,18H2,1-3H3