2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[4-(2-furyl)pyrimidin-2-yl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[4-(2-furanyl)-2-pyrimidinyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[[4-(2-furyl)pyrimidin-2-yl]amino]-3-keto-propyl]pyrazole-3-carboxylic 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)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

C1=COC(=C1)C2=NC(=NC=C2)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

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