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

Systemtic Name: (E)-3-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(tetrahydrofuran-2-ylmethylamino)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(2-oxolanylmethylamino)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(tetrahydrofurfurylamino)pyrimidin-5-yl]acrylic acid Formula: C12H15N3O3 MolecularWeight: 249.2658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=C(C=N2)C=CC(=O)O

Isomeric SMILES

C1CC(OC1)CNC2=NC=C(C=N2)/C=C/C(=O)O

InChI

InChI=1S/C12H15N3O3/c16-11(17)4-3-9-6-13-12(14-7-9)15-8-10-2-1-5-18-10/h3-4,6-7,10H,1-2,5,8H2,(H,16,17)(H,13,14,15)/b4-3+