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

Systemtic Name: 2-[4-[(2-chloranyl-7H-purin-6-yl)amino]butanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[4-[(2-chloro-7H-purin-6-yl)amino]butanoylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-[(2-chloro-7H-purin-6-yl)amino]-1-oxobutyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[4-[(2-chloro-7H-purin-6-yl)amino]butanoylamino]ethyl-dimethylazanium Traditional Name: 2-[4-[(2-chloro-7H-purin-6-yl)amino]butanoylamino]ethyl-dimethyl-ammonium Formula: C13H21ClN7O+ MolecularWeight: 326.80514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClN7O/c1-21(2)7-6-15-9(22)4-3-5-16-11-10-12(18-8-17-10)20-13(14)19-11/h8H,3-7H2,1-2H3,(H,15,22)(H2,16,17,18,19,20)/p+1