6-methylsulfanyl-N,7-di(propan-2-yl)imidazo[1,5-a]pyrimidin-5-ium-8-amine chloride

Systemtic Name: 6-methylsulfanyl-N,7-di(propan-2-yl)imidazo[1,5-a]pyrimidin-5-ium-8-amine chloride Openeye Name: N,7-diisopropyl-6-methylsulfanyl-imidazo[1,5-a]pyrimidin-5-ium-8-amine chloride CAS Name: 6-(methylthio)-N,7-di(propan-2-yl)-8-imidazo[1,5-a]pyrimidin-5-iumamine chloride IUPAC Name: 6-methylsulfanyl-N,7-di(propan-2-yl)imidazo[1,5-a]pyrimidin-5-ium-8-amine chloride Traditional Name: isopropyl-[7-isopropyl-6-(methylthio)imidazo[1,5-a]pyrimidin-5-ium-8-yl]amine chloride Formula: C13H21ClN4S MolecularWeight: 300.85064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C2N=CC=C[N+]2=C(N1C(C)C)SC.[Cl-]

Isomeric SMILES

CC(C)NC1=C2N=CC=C[N+]2=C(N1C(C)C)SC.[Cl-]

InChI

InChI=1S/C13H21N4S.ClH/c1-9(2)15-12-11-14-7-6-8-16(11)13(18-5)17(12)10(3)4;/h6-10,15H,1-5H3;1H/q+1;/p-1