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

Systemtic Name: 3-[4-[(2-chloranyl-7H-purin-6-yl)amino]butanoylamino]propyl-diethyl-azanium Openeye Name: 3-[4-[(2-chloro-7H-purin-6-yl)amino]butanoylamino]propyl-diethyl-ammonium CAS Name: 3-[[4-[(2-chloro-7H-purin-6-yl)amino]-1-oxobutyl]amino]propyl-diethylammonium IUPAC Name: 3-[4-[(2-chloro-7H-purin-6-yl)amino]butanoylamino]propyl-diethylazanium Traditional Name: 3-[4-[(2-chloro-7H-purin-6-yl)amino]butanoylamino]propyl-diethyl-ammonium Formula: C16H27ClN7O+ MolecularWeight: 368.88488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClN7O/c1-3-24(4-2)10-6-9-18-12(25)7-5-8-19-14-13-15(21-11-20-13)23-16(17)22-14/h11H,3-10H2,1-2H3,(H,18,25)(H2,19,20,21,22,23)/p+1