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

Systemtic Name: 7-(4-ethoxyphenyl)-4-[(2-methylphenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(4-ethoxyphenyl)-4-(o-tolylmethylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-ethoxyphenyl)-4-[(2-methylphenyl)methylthio]-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(4-ethoxyphenyl)-4-[(2-methylphenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-[(2-methylbenzyl)thio]-5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidine Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4C)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4C)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3OS/c1-3-32-24-15-13-23(14-16-24)31-17-25(21-10-5-4-6-11-21)26-27(31)29-19-30-28(26)33-18-22-12-8-7-9-20(22)2/h4-17,19H,3,18H2,1-2H3