8-(2,5-dimethylphenyl)sulfanyl-7H-purin-6-amine

Systemtic Name: 8-(2,5-dimethylphenyl)sulfanyl-7H-purin-6-amine Openeye Name: 8-(2,5-dimethylphenyl)sulfanyl-7H-purin-6-amine CAS Name: 8-[(2,5-dimethylphenyl)thio]-7H-purin-6-amine IUPAC Name: 8-(2,5-dimethylphenyl)sulfanyl-7H-purin-6-amine Traditional Name: [8-[(2,5-dimethylphenyl)thio]-7H-purin-6-yl]amine Formula: C13H13N5S MolecularWeight: 271.34082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5S/c1-7-3-4-8(2)9(5-7)19-13-17-10-11(14)15-6-16-12(10)18-13/h3-6H,1-2H3,(H3,14,15,16,17,18)