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

Systemtic Name: 2-chloranyl-6-(2,6-dimethylphenyl)sulfanyl-7H-purine Openeye Name: 2-chloro-6-(2,6-dimethylphenyl)sulfanyl-7H-purine CAS Name: 2-chloro-6-[(2,6-dimethylphenyl)thio]-7H-purine IUPAC Name: 2-chloro-6-(2,6-dimethylphenyl)sulfanyl-7H-purine Traditional Name: 2-chloro-6-[(2,6-dimethylphenyl)thio]-7H-purine Formula: C13H11ClN4S MolecularWeight: 290.77124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN4S/c1-7-4-3-5-8(2)10(7)19-12-9-11(16-6-15-9)17-13(14)18-12/h3-6H,1-2H3,(H,15,16,17,18)