6-[(2,5-dimethylphenyl)methylsulfanyl]-7H-purine

Systemtic Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-7H-purine Openeye Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-7H-purine CAS Name: 6-[(2,5-dimethylphenyl)methylthio]-7H-purine IUPAC Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-7H-purine Traditional Name: 6-[(2,5-dimethylbenzyl)thio]-7H-purine Formula: C14H14N4S MolecularWeight: 270.35276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4S/c1-9-3-4-10(2)11(5-9)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)