6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine

Systemtic Name: 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine Openeye Name: 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine CAS Name: 6-[(3,4-dichlorophenyl)methylthio]-7H-purine IUPAC Name: 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine Traditional Name: 6-[(3,4-dichlorobenzyl)thio]-7H-purine Formula: C12H8Cl2N4S MolecularWeight: 311.18972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC2=NC=NC3=C2NC=N3)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CSC2=NC=NC3=C2NC=N3)Cl)Cl

InChI

InChI=1S/C12H8Cl2N4S/c13-8-2-1-7(3-9(8)14)4-19-12-10-11(16-5-15-10)17-6-18-12/h1-3,5-6H,4H2,(H,15,16,17,18)