3-[5-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[4-(2-furyl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[[4-(2-furanyl)-2-pyrimidinyl]amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[4-(2-furyl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C15H13N5O4 MolecularWeight: 327.29482

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NC(=NC=C2)NC(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

C1=COC(=C1)C2=NC(=NC=C2)NC(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C15H13N5O4/c21-13(22)5-8-20-11(4-7-17-20)14(23)19-15-16-6-3-10(18-15)12-2-1-9-24-12/h1-4,6-7,9H,5,8H2,(H,21,22)(H,16,18,19,23)