2-[[2-(3,5-dimethylpyrazol-1-yl)-5-ethoxycarbonyl-pyrimidin-4-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[2-(3,5-dimethylpyrazol-1-yl)-5-ethoxycarbonyl-pyrimidin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[2-(3,5-dimethylpyrazol-1-yl)-5-ethoxycarbonyl-pyrimidin-4-yl]ammonio]acetate CAS Name: 2-[[2-(3,5-dimethyl-1-pyrazolyl)-5-ethoxycarbonyl-4-pyrimidinyl]ammonio]acetate IUPAC Name: 2-[[2-(3,5-dimethylpyrazol-1-yl)-5-ethoxycarbonylpyrimidin-4-yl]azaniumyl]acetate Traditional Name: 2-[[5-carbethoxy-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ammonio]acetate Formula: C14H17N5O4 MolecularWeight: 319.31588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1[NH2+]CC(=O)[O-])N2C(=CC(=N2)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1[NH2+]CC(=O)[O-])N2C(=CC(=N2)C)C

InChI

InChI=1S/C14H17N5O4/c1-4-23-13(22)10-6-16-14(17-12(10)15-7-11(20)21)19-9(3)5-8(2)18-19/h5-6H,4,7H2,1-3H3,(H,20,21)(H,15,16,17)