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

Systemtic Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-[(2,5-dimethylphenyl)methylthio]-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-[(2,5-dimethylbenzyl)thio]-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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