N,N-diethyl-2-(7H-purin-6-ylsulfanyl)ethanamine hydrochloride

Systemtic Name: N,N-diethyl-2-(7H-purin-6-ylsulfanyl)ethanamine hydrochloride Openeye Name: N,N-diethyl-2-(7H-purin-6-ylsulfanyl)ethanamine hydrochloride CAS Name: N,N-diethyl-2-(7H-purin-6-ylthio)ethanamine hydrochloride IUPAC Name: N,N-diethyl-2-(7H-purin-6-ylsulfanyl)ethanamine hydrochloride Traditional Name: diethyl-[2-(7H-purin-6-ylthio)ethyl]amine hydrochloride Formula: C11H18ClN5S MolecularWeight: 287.81212

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC=NC2=C1NC=N2.Cl

Isomeric SMILES

CCN(CC)CCSC1=NC=NC2=C1NC=N2.Cl

InChI

InChI=1S/C11H17N5S.ClH/c1-3-16(4-2)5-6-17-11-9-10(13-7-12-9)14-8-15-11;/h7-8H,3-6H2,1-2H3,(H,12,13,14,15);1H