5-[(2-azanyl-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(2-azanyl-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(2-amino-1,6-dimethyl-4-pyrimidin-1-iumyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]isophthalic acid Formula: C14H15N4O4+ MolecularWeight: 303.2933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=[N+]1C)N)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=[N+]1C)N)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H14N4O4/c1-7-3-11(17-14(15)18(7)2)16-10-5-8(12(19)20)4-9(6-10)13(21)22/h3-6H,1-2H3,(H4,15,16,17,19,20,21,22)/p+1