8-[(2,4-dichlorophenyl)methylsulfanyl]-7H-purin-6-amine

Systemtic Name: 8-[(2,4-dichlorophenyl)methylsulfanyl]-7H-purin-6-amine Openeye Name: 8-[(2,4-dichlorophenyl)methylsulfanyl]-7H-purin-6-amine CAS Name: 8-[(2,4-dichlorophenyl)methylthio]-7H-purin-6-amine IUPAC Name: 8-[(2,4-dichlorophenyl)methylsulfanyl]-7H-purin-6-amine Traditional Name: [8-[(2,4-dichlorobenzyl)thio]-7H-purin-6-yl]amine Formula: C12H9Cl2N5S MolecularWeight: 326.20436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CSC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CSC2=NC3=C(N2)C(=NC=N3)N

InChI

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