[5-(aminomethyl)-3-azanyl-2-methyl-pyridin-4-yl]methyl carbamimidothioate trihydrobromide

Systemtic Name: [5-(aminomethyl)-3-azanyl-2-methyl-pyridin-4-yl]methyl carbamimidothioate trihydrobromide Openeye Name: 2-[[3-amino-5-(aminomethyl)-2-methyl-4-pyridyl]methyl]isothiourea trihydrobromide CAS Name: carbamimidothioic acid [3-amino-5-(aminomethyl)-2-methyl-4-pyridinyl]methyl ester trihydrobromide IUPAC Name: [3-amino-5-(aminomethyl)-2-methylpyridin-4-yl]methyl carbamimidothioate trihydrobromide Traditional Name: 2-[[3-amino-5-(aminomethyl)-2-methyl-4-pyridyl]methyl]isothiourea trihydrobromide Formula: C9H18Br3N5S MolecularWeight: 468.04972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1N)CSC(=N)N)CN.Br.Br.Br

Isomeric SMILES

CC1=NC=C(C(=C1N)CSC(=N)N)CN.Br.Br.Br

InChI

InChI=1S/C9H15N5S.3BrH/c1-5-8(11)7(4-15-9(12)13)6(2-10)3-14-5;;;/h3H,2,4,10-11H2,1H3,(H3,12,13);3*1H