2-chloranyl-6-(3,4-dimethylphenyl)sulfanyl-7H-purine

Systemtic Name: 2-chloranyl-6-(3,4-dimethylphenyl)sulfanyl-7H-purine Openeye Name: 2-chloro-6-(3,4-dimethylphenyl)sulfanyl-7H-purine CAS Name: 2-chloro-6-[(3,4-dimethylphenyl)thio]-7H-purine IUPAC Name: 2-chloro-6-(3,4-dimethylphenyl)sulfanyl-7H-purine Traditional Name: 2-chloro-6-[(3,4-dimethylphenyl)thio]-7H-purine Formula: C13H11ClN4S MolecularWeight: 290.77124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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