3-[[2-(3,5-dimethylpyrazol-1-yl)-5-ethoxycarbonyl-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[2-(3,5-dimethylpyrazol-1-yl)-5-ethoxycarbonyl-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[[2-(3,5-dimethylpyrazol-1-yl)-5-ethoxycarbonyl-pyrimidin-4-yl]amino]benzoic acid CAS Name: 3-[[2-(3,5-dimethyl-1-pyrazolyl)-5-ethoxycarbonyl-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[2-(3,5-dimethylpyrazol-1-yl)-5-ethoxycarbonylpyrimidin-4-yl]amino]benzoic acid Traditional Name: 3-[[5-carbethoxy-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]benzoic acid Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(=O)O)N3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(=O)O)N3C(=CC(=N3)C)C

InChI

InChI=1S/C19H19N5O4/c1-4-28-18(27)15-10-20-19(24-12(3)8-11(2)23-24)22-16(15)21-14-7-5-6-13(9-14)17(25)26/h5-10H,4H2,1-3H3,(H,25,26)(H,20,21,22)