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

Systemtic Name: 7-(3-methylphenyl)-4-[(3-methylphenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(m-tolyl)-4-(m-tolylmethylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-methylphenyl)-4-[(3-methylphenyl)methylthio]-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-methylphenyl)-4-[(3-methylphenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-[(3-methylbenzyl)thio]-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C27H23N3S MolecularWeight: 421.55662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3S/c1-19-8-6-10-21(14-19)17-31-27-25-24(22-11-4-3-5-12-22)16-30(26(25)28-18-29-27)23-13-7-9-20(2)15-23/h3-16,18H,17H2,1-2H3