1-[2-(4-methylphenyl)sulfanylethyl]-9-(phenylmethyl)purine-6-thione

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethyl]-9-(phenylmethyl)purine-6-thione Openeye Name: 9-benzyl-1-[2-(p-tolylsulfanyl)ethyl]purine-6-thione CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]-9-(phenylmethyl)-6-purinethione IUPAC Name: 9-benzyl-1-[2-(4-methylphenyl)sulfanylethyl]purine-6-thione Traditional Name: 9-benzyl-1-[2-(p-tolylthio)ethyl]purine-6-thione Formula: C21H20N4S2 MolecularWeight: 392.5403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2C=NC3=C(C2=S)N=CN3CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2C=NC3=C(C2=S)N=CN3CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4S2/c1-16-7-9-18(10-8-16)27-12-11-24-15-23-20-19(21(24)26)22-14-25(20)13-17-5-3-2-4-6-17/h2-10,14-15H,11-13H2,1H3