6-(4-methylphenyl)sulfanyl-7H-purine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-7H-purine Openeye Name: 6-(p-tolylsulfanyl)-7H-purine CAS Name: 6-[(4-methylphenyl)thio]-7H-purine IUPAC Name: 6-(4-methylphenyl)sulfanyl-7H-purine Traditional Name: 6-(p-tolylthio)-7H-purine Formula: C12H10N4S MolecularWeight: 242.2996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H10N4S/c1-8-2-4-9(5-3-8)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H,13,14,15,16)