2-[5-cyano-1-methyl-6-oxidanylidene-4-(pyridin-3-ylmethylamino)pyrimidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[5-cyano-1-methyl-6-oxidanylidene-4-(pyridin-3-ylmethylamino)pyrimidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-1-methyl-6-oxo-4-(3-pyridylmethylamino)pyrimidin-1-ium-1-yl]acetic acid CAS Name: 2-[5-cyano-1-methyl-6-oxo-4-(3-pyridinylmethylamino)-1-pyrimidin-1-iumyl]acetic acid IUPAC Name: 2-[5-cyano-1-methyl-6-oxo-4-(pyridin-3-ylmethylamino)pyrimidin-1-ium-1-yl]acetic acid Traditional Name: 2-[5-cyano-6-keto-1-methyl-4-(3-pyridylmethylamino)pyrimidin-1-ium-1-yl]acetic acid Formula: C14H14N5O3+ MolecularWeight: 300.29266

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=NC(=C(C1=O)C#N)NCC2=CN=CC=C2)CC(=O)O

Isomeric SMILES

C[N+]1(C=NC(=C(C1=O)C#N)NCC2=CN=CC=C2)CC(=O)O

InChI

InChI=1S/C14H13N5O3/c1-19(8-12(20)21)9-18-13(11(5-15)14(19)22)17-7-10-3-2-4-16-6-10/h2-4,6,9H,7-8H2,1H3,(H-,17,20,21,22)/p+1