N4-(2,1,3-benzothiadiazol-5-ylmethyl)-6-methyl-pyrimidin-3-ium-2,4-diamine

Systemtic Name: N4-(2,1,3-benzothiadiazol-5-ylmethyl)-6-methyl-pyrimidin-3-ium-2,4-diamine Openeye Name: N4-(2,1,3-benzothiadiazol-5-ylmethyl)-6-methyl-pyrimidin-3-ium-2,4-diamine CAS Name: N4-(2,1,3-benzothiadiazol-5-ylmethyl)-6-methylpyrimidin-3-ium-2,4-diamine IUPAC Name: 4-N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-methylpyrimidin-3-ium-2,4-diamine Traditional Name: (2-amino-6-methyl-pyrimidin-3-ium-4-yl)-(piazthiol-5-ylmethyl)amine Formula: C12H13N6S+ MolecularWeight: 273.33682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N)NCC2=CC3=NSN=C3C=C2

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N)NCC2=CC3=NSN=C3C=C2

InChI

InChI=1S/C12H12N6S/c1-7-4-11(16-12(13)15-7)14-6-8-2-3-9-10(5-8)18-19-17-9/h2-5H,6H2,1H3,(H3,13,14,15,16)/p+1