(E)-3-[2-(furan-2-ylmethylamino)pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(furan-2-ylmethylamino)pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(2-furylmethylamino)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(2-furanylmethylamino)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(furan-2-ylmethylamino)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(2-furfurylamino)pyrimidin-5-yl]acrylic acid Formula: C12H11N3O3 MolecularWeight: 245.23404

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC=C(C=N2)C=CC(=O)O

Isomeric SMILES

C1=COC(=C1)CNC2=NC=C(C=N2)/C=C/C(=O)O

InChI

InChI=1S/C12H11N3O3/c16-11(17)4-3-9-6-13-12(14-7-9)15-8-10-2-1-5-18-10/h1-7H,8H2,(H,16,17)(H,13,14,15)/b4-3+