2-[(2-chloranyl-7H-purin-6-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C12H17ClN7O+ MolecularWeight: 310.76268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C12H16ClN7O/c1-19-2-4-20(5-3-19)8(21)6-14-10-9-11(16-7-15-9)18-12(13)17-10/h7H,2-6H2,1H3,(H2,14,15,16,17,18)/p+1