3-[4-[(2-chloranyl-7H-purin-6-yl)amino]butanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[4-[(2-chloranyl-7H-purin-6-yl)amino]butanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[4-[(2-chloro-7H-purin-6-yl)amino]butanoylamino]propyl-dimethyl-ammonium CAS Name: 3-[[4-[(2-chloro-7H-purin-6-yl)amino]-1-oxobutyl]amino]propyl-dimethylammonium IUPAC Name: 3-[4-[(2-chloro-7H-purin-6-yl)amino]butanoylamino]propyl-dimethylazanium Traditional Name: 3-[4-[(2-chloro-7H-purin-6-yl)amino]butanoylamino]propyl-dimethyl-ammonium Formula: C14H23ClN7O+ MolecularWeight: 340.83172

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)CCCNC1=NC(=NC2=C1NC=N2)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=O)CCCNC1=NC(=NC2=C1NC=N2)Cl

InChI

InChI=1S/C14H22ClN7O/c1-22(2)8-4-7-16-10(23)5-3-6-17-12-11-13(19-9-18-11)21-14(15)20-12/h9H,3-8H2,1-2H3,(H,16,23)(H2,17,18,19,20,21)/p+1