[1,6-bis(azanyl)-2-methyl-pyrimidin-1-ium-4-yl] benzoate

Systemtic Name: [1,6-bis(azanyl)-2-methyl-pyrimidin-1-ium-4-yl] benzoate Openeye Name: (1,6-diamino-2-methyl-pyrimidin-1-ium-4-yl) benzoate CAS Name: benzoic acid (1,6-diamino-2-methyl-4-pyrimidin-1-iumyl) ester IUPAC Name: (1,6-diamino-2-methylpyrimidin-1-ium-4-yl) benzoate Traditional Name: benzoic acid (1,6-diamino-2-methyl-pyrimidin-1-ium-4-yl) ester Formula: C12H13N4O2+ MolecularWeight: 245.25722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=[N+]1N)N)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=CC(=[N+]1N)N)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H12N4O2/c1-8-15-11(7-10(13)16(8)14)18-12(17)9-5-3-2-4-6-9/h2-7,13H,14H2,1H3/p+1