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

Systemtic Name: 7-(4-methoxyphenyl)-5-phenyl-4-(phenylmethylsulfanyl)pyrrolo[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-methoxyphenyl)-5-phenyl-4-(phenylmethylthio)pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C26H21N3OS MolecularWeight: 423.52944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3OS/c1-30-22-14-12-21(13-15-22)29-16-23(20-10-6-3-7-11-20)24-25(29)27-18-28-26(24)31-17-19-8-4-2-5-9-19/h2-16,18H,17H2,1H3