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

Systemtic Name: 7-(4-ethoxyphenyl)-5-phenyl-4-(phenylmethylsulfanyl)pyrrolo[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-ethoxyphenyl)-5-phenyl-4-(phenylmethylthio)pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidine Formula: C27H23N3OS MolecularWeight: 437.55602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3OS/c1-2-31-23-15-13-22(14-16-23)30-17-24(21-11-7-4-8-12-21)25-26(30)28-19-29-27(25)32-18-20-9-5-3-6-10-20/h3-17,19H,2,18H2,1H3