1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one Openeye Name: 1-[2-(p-tolylsulfanyl)ethyl]-7H-purin-6-one CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]-7H-purin-6-one IUPAC Name: 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one Traditional Name: 1-[2-(p-tolylthio)ethyl]-7H-purin-6-one Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2C=NC3=C(C2=O)NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2C=NC3=C(C2=O)NC=N3

InChI

InChI=1S/C14H14N4OS/c1-10-2-4-11(5-3-10)20-7-6-18-9-17-13-12(14(18)19)15-8-16-13/h2-5,8-9H,6-7H2,1H3,(H,15,16)