2-(2-azanylpyrimidin-5-yl)-3-(2-hydroxyethyl)-3-methyl-2H-1,3-benzoxazol-3-ium-7-carboxylic acid

Systemtic Name: 2-(2-azanylpyrimidin-5-yl)-3-(2-hydroxyethyl)-3-methyl-2H-1,3-benzoxazol-3-ium-7-carboxylic acid Openeye Name: 2-(2-aminopyrimidin-5-yl)-3-(2-hydroxyethyl)-3-methyl-2H-1,3-benzoxazol-3-ium-7-carboxylic acid CAS Name: 2-(2-amino-5-pyrimidinyl)-3-(2-hydroxyethyl)-3-methyl-2H-1,3-benzoxazol-3-ium-7-carboxylic acid IUPAC Name: 2-(2-aminopyrimidin-5-yl)-3-(2-hydroxyethyl)-3-methyl-2H-1,3-benzoxazol-3-ium-7-carboxylic acid Traditional Name: 2-(2-aminopyrimidin-5-yl)-3-(2-hydroxyethyl)-3-methyl-2H-1,3-benzoxazol-3-ium-7-carboxylic acid Formula: C15H17N4O4+ MolecularWeight: 317.31988

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(OC2=C(C=CC=C21)C(=O)O)C3=CN=C(N=C3)N)CCO

Isomeric SMILES

C[N+]1(C(OC2=C(C=CC=C21)C(=O)O)C3=CN=C(N=C3)N)CCO

InChI

InChI=1S/C15H16N4O4/c1-19(5-6-20)11-4-2-3-10(14(21)22)12(11)23-13(19)9-7-17-15(16)18-8-9/h2-4,7-8,13,20H,5-6H2,1H3,(H2-,16,17,18,21,22)/p+1