3-[4-(2-chloranyl-7H-purin-6-yl)piperazin-1-yl]-1,2-benzothiazole

Systemtic Name: 3-[4-(2-chloranyl-7H-purin-6-yl)piperazin-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-(2-chloro-7H-purin-6-yl)piperazin-1-yl]-1,2-benzothiazole CAS Name: 3-[4-(2-chloro-7H-purin-6-yl)-1-piperazinyl]-1,2-benzothiazole IUPAC Name: 3-[4-(2-chloro-7H-purin-6-yl)piperazin-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-(2-chloro-7H-purin-6-yl)piperazino]-1,2-benzothiazole Formula: C16H14ClN7S MolecularWeight: 371.84726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NSC3=CC=CC=C32)C4=NC(=NC5=C4NC=N5)Cl

Isomeric SMILES

C1CN(CCN1C2=NSC3=CC=CC=C32)C4=NC(=NC5=C4NC=N5)Cl

InChI

InChI=1S/C16H14ClN7S/c17-16-20-13-12(18-9-19-13)15(21-16)24-7-5-23(6-8-24)14-10-3-1-2-4-11(10)25-22-14/h1-4,9H,5-8H2,(H,18,19,20,21)