5-(1,3-benzothiazol-3-ium-3-ylmethyl)-2-methyl-pyrimidin-4-amine

Systemtic Name: 5-(1,3-benzothiazol-3-ium-3-ylmethyl)-2-methyl-pyrimidin-4-amine Openeye Name: 5-(1,3-benzothiazol-3-ium-3-ylmethyl)-2-methyl-pyrimidin-4-amine CAS Name: 5-(1,3-benzothiazol-3-ium-3-ylmethyl)-2-methyl-4-pyrimidinamine IUPAC Name: 5-(1,3-benzothiazol-3-ium-3-ylmethyl)-2-methylpyrimidin-4-amine Traditional Name: [5-(1,3-benzothiazol-3-ium-3-ylmethyl)-2-methyl-pyrimidin-4-yl]amine Formula: C13H13N4S+ MolecularWeight: 257.33412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)C[N+]2=CSC3=CC=CC=C32

Isomeric SMILES

CC1=NC=C(C(=N1)N)C[N+]2=CSC3=CC=CC=C32

InChI

InChI=1S/C13H13N4S/c1-9-15-6-10(13(14)16-9)7-17-8-18-12-5-3-2-4-11(12)17/h2-6,8H,7H2,1H3,(H2,14,15,16)/q+1