7-[(4-methylphenyl)methylsulfanyl]purine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSN2C=NC3=NC=NC=C32

Isomeric SMILES

CC1=CC=C(C=C1)CSN2C=NC3=NC=NC=C32

InChI

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