8-(4-methylphenyl)sulfanyl-7H-purin-6-amine

Systemtic Name: 8-(4-methylphenyl)sulfanyl-7H-purin-6-amine Openeye Name: 8-(p-tolylsulfanyl)-7H-purin-6-amine CAS Name: 8-[(4-methylphenyl)thio]-7H-purin-6-amine IUPAC Name: 8-(4-methylphenyl)sulfanyl-7H-purin-6-amine Traditional Name: [8-(p-tolylthio)-7H-purin-6-yl]amine Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C12H11N5S/c1-7-2-4-8(5-3-7)18-12-16-9-10(13)14-6-15-11(9)17-12/h2-6H,1H3,(H3,13,14,15,16,17)