3-methylsulfanyl-N,2-di(propan-2-yl)imidazo[1,5-a]pyrazin-4-ium-1-amine chloride

Systemtic Name: 3-methylsulfanyl-N,2-di(propan-2-yl)imidazo[1,5-a]pyrazin-4-ium-1-amine chloride Openeye Name: N,2-diisopropyl-3-methylsulfanyl-imidazo[1,5-a]pyrazin-4-ium-1-amine chloride CAS Name: 3-(methylthio)-N,2-di(propan-2-yl)-1-imidazo[1,5-a]pyrazin-4-iumamine chloride IUPAC Name: 3-methylsulfanyl-N,2-di(propan-2-yl)imidazo[1,5-a]pyrazin-4-ium-1-amine chloride Traditional Name: isopropyl-[2-isopropyl-3-(methylthio)imidazo[1,5-a]pyrazin-4-ium-1-yl]amine chloride Formula: C13H21ClN4S MolecularWeight: 300.85064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C2C=NC=C[N+]2=C(N1C(C)C)SC.[Cl-]

Isomeric SMILES

CC(C)NC1=C2C=NC=C[N+]2=C(N1C(C)C)SC.[Cl-]

InChI

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