3-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[(2-amino-6-chloro-purin-9-yl)methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[(2-amino-6-chloro-9-purinyl)methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[(2-amino-6-chloropurin-9-yl)methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[(2-amino-6-chloro-purin-9-yl)methyl]-1,3-benzothiazole-2-thione Formula: C13H9ClN6S2 MolecularWeight: 348.83376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)S2)CN3C=NC4=C3N=C(N=C4Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)S2)CN3C=NC4=C3N=C(N=C4Cl)N

InChI

InChI=1S/C13H9ClN6S2/c14-10-9-11(18-12(15)17-10)19(5-16-9)6-20-7-3-1-2-4-8(7)22-13(20)21/h1-5H,6H2,(H2,15,17,18)