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

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)amino]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2-chloro-7H-purin-6-yl)amino]ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[(2-chloro-7H-purin-6-yl)amino]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2-chloro-7H-purin-6-yl)amino]ethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-[(2-chloro-7H-purin-6-yl)amino]ethanone Formula: C17H17Cl2N7O MolecularWeight: 406.26918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C17H17Cl2N7O/c18-11-2-1-3-12(8-11)25-4-6-26(7-5-25)13(27)9-20-15-14-16(22-10-21-14)24-17(19)23-15/h1-3,8,10H,4-7,9H2,(H2,20,21,22,23,24)