3-[2-[(2-chloranyl-7H-purin-6-yl)amino]ethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(2-chloranyl-7H-purin-6-yl)amino]ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(2-chloro-7H-purin-6-yl)amino]acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(2-chloro-7H-purin-6-yl)amino]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[(2-chloro-7H-purin-6-yl)amino]acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[(2-chloro-7H-purin-6-yl)amino]acetyl]amino]propyl-dimethyl-ammonium Formula: C12H19ClN7O+ MolecularWeight: 312.77856

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)CNC1=NC(=NC2=C1NC=N2)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=O)CNC1=NC(=NC2=C1NC=N2)Cl

InChI

InChI=1S/C12H18ClN7O/c1-20(2)5-3-4-14-8(21)6-15-10-9-11(17-7-16-9)19-12(13)18-10/h7H,3-6H2,1-2H3,(H,14,21)(H2,15,16,17,18,19)/p+1