6-[(3-methylphenyl)methylsulfanyl]-7H-purine

Systemtic Name: 6-[(3-methylphenyl)methylsulfanyl]-7H-purine Openeye Name: 6-(m-tolylmethylsulfanyl)-7H-purine CAS Name: 6-[(3-methylphenyl)methylthio]-7H-purine IUPAC Name: 6-[(3-methylphenyl)methylsulfanyl]-7H-purine Traditional Name: 6-[(3-methylbenzyl)thio]-7H-purine Formula: C13H12N4S MolecularWeight: 256.32618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4S/c1-9-3-2-4-10(5-9)6-18-13-11-12(15-7-14-11)16-8-17-13/h2-5,7-8H,6H2,1H3,(H,14,15,16,17)