9-(1,3-benzothiazol-2-ylmethyl)-6-chloranyl-purin-2-amine

Systemtic Name: 9-(1,3-benzothiazol-2-ylmethyl)-6-chloranyl-purin-2-amine Openeye Name: 9-(1,3-benzothiazol-2-ylmethyl)-6-chloro-purin-2-amine CAS Name: 9-(1,3-benzothiazol-2-ylmethyl)-6-chloro-2-purinamine IUPAC Name: 9-(1,3-benzothiazol-2-ylmethyl)-6-chloropurin-2-amine Traditional Name: [9-(1,3-benzothiazol-2-ylmethyl)-6-chloro-purin-2-yl]amine Formula: C13H9ClN6S MolecularWeight: 316.76876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN6S/c14-11-10-12(19-13(15)18-11)20(6-16-10)5-9-17-7-3-1-2-4-8(7)21-9/h1-4,6H,5H2,(H2,15,18,19)