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

Systemtic Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-7-(3-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-[(2,5-dimethylphenyl)methylthio]-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-[(2,5-dimethylbenzyl)thio]-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C28H25N3S MolecularWeight: 435.5832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3SCC4=C(C=CC(=C4)C)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3SCC4=C(C=CC(=C4)C)C)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3S/c1-19-8-7-11-24(15-19)31-16-25(22-9-5-4-6-10-22)26-27(31)29-18-30-28(26)32-17-23-14-20(2)12-13-21(23)3/h4-16,18H,17H2,1-3H3