6-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-7H-purin-2-amine

Systemtic Name: 6-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-7H-purin-2-amine Openeye Name: 6-[(2,6-dichlorophenyl)methylsulfanyl]-7H-purin-2-amine CAS Name: 6-[(2,6-dichlorophenyl)methylthio]-7H-purin-2-amine IUPAC Name: 6-[(2,6-dichlorophenyl)methylsulfanyl]-7H-purin-2-amine Traditional Name: [6-[(2,6-dichlorobenzyl)thio]-7H-purin-2-yl]amine Formula: C12H9Cl2N5S MolecularWeight: 326.20436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CSC2=NC(=NC3=C2NC=N3)N)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CSC2=NC(=NC3=C2NC=N3)N)Cl

InChI

InChI=1S/C12H9Cl2N5S/c13-7-2-1-3-8(14)6(7)4-20-11-9-10(17-5-16-9)18-12(15)19-11/h1-3,5H,4H2,(H3,15,16,17,18,19)