2-[(4-methylphenyl)methylsulfanyl]-7H-purine

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-7H-purine Openeye Name: 2-(p-tolylmethylsulfanyl)-7H-purine CAS Name: 2-[(4-methylphenyl)methylthio]-7H-purine IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-7H-purine Traditional Name: 2-[(4-methylbenzyl)thio]-7H-purine Formula: C13H12N4S MolecularWeight: 256.32618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C3C(=N2)N=CN3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C3C(=N2)N=CN3

InChI

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