6-[(3,4-dimethylphenyl)methylsulfanyl]-7H-purine

Systemtic Name: 6-[(3,4-dimethylphenyl)methylsulfanyl]-7H-purine Openeye Name: 6-[(3,4-dimethylphenyl)methylsulfanyl]-7H-purine CAS Name: 6-[(3,4-dimethylphenyl)methylthio]-7H-purine IUPAC Name: 6-[(3,4-dimethylphenyl)methylsulfanyl]-7H-purine Traditional Name: 6-[(3,4-dimethylbenzyl)thio]-7H-purine Formula: C14H14N4S MolecularWeight: 270.35276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=NC=NC3=C2NC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=NC=NC3=C2NC=N3)C

InChI

InChI=1S/C14H14N4S/c1-9-3-4-11(5-10(9)2)6-19-14-12-13(16-7-15-12)17-8-18-14/h3-5,7-8H,6H2,1-2H3,(H,15,16,17,18)