6-(2,6-dimethylphenyl)sulfanyl-7H-purine

Systemtic Name: 6-(2,6-dimethylphenyl)sulfanyl-7H-purine Openeye Name: 6-(2,6-dimethylphenyl)sulfanyl-7H-purine CAS Name: 6-[(2,6-dimethylphenyl)thio]-7H-purine IUPAC Name: 6-(2,6-dimethylphenyl)sulfanyl-7H-purine Traditional Name: 6-[(2,6-dimethylphenyl)thio]-7H-purine Formula: C13H12N4S MolecularWeight: 256.32618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4S/c1-8-4-3-5-9(2)11(8)18-13-10-12(15-6-14-10)16-7-17-13/h3-7H,1-2H3,(H,14,15,16,17)