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

Systemtic Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-[(2-chloranyl-7H-purin-6-yl)amino]ethanone Openeye Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-[(2-chloro-7H-purin-6-yl)amino]ethanone CAS Name: 1-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-2-[(2-chloro-7H-purin-6-yl)amino]ethanone IUPAC Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-[(2-chloro-7H-purin-6-yl)amino]ethanone Traditional Name: 1-[4-(1,2-benzothiazol-3-yl)piperazino]-2-[(2-chloro-7H-purin-6-yl)amino]ethanone Formula: C18H17ClN8OS MolecularWeight: 428.89858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)CNC4=NC(=NC5=C4NC=N5)Cl

Isomeric SMILES

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)CNC4=NC(=NC5=C4NC=N5)Cl

InChI

InChI=1S/C18H17ClN8OS/c19-18-23-15(14-16(24-18)22-10-21-14)20-9-13(28)26-5-7-27(8-6-26)17-11-3-1-2-4-12(11)29-25-17/h1-4,10H,5-9H2,(H2,20,21,22,23,24)