6-chloranyl-9-[(7-chloranyl-1,3-benzothiazol-2-yl)methyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[(7-chloranyl-1,3-benzothiazol-2-yl)methyl]purin-2-amine Openeye Name: 6-chloro-9-[(7-chloro-1,3-benzothiazol-2-yl)methyl]purin-2-amine CAS Name: 6-chloro-9-[(7-chloro-1,3-benzothiazol-2-yl)methyl]-2-purinamine IUPAC Name: 6-chloro-9-[(7-chloro-1,3-benzothiazol-2-yl)methyl]purin-2-amine Traditional Name: [6-chloro-9-[(7-chloro-1,3-benzothiazol-2-yl)methyl]purin-2-yl]amine Formula: C13H8Cl2N6S MolecularWeight: 351.21382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)SC(=N2)CN3C=NC4=C3N=C(N=C4Cl)N

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)SC(=N2)CN3C=NC4=C3N=C(N=C4Cl)N

InChI

InChI=1S/C13H8Cl2N6S/c14-6-2-1-3-7-10(6)22-8(18-7)4-21-5-17-9-11(15)19-13(16)20-12(9)21/h1-3,5H,4H2,(H2,16,19,20)