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

Systemtic Name: (E)-3-[2-(hexylamino)pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(hexylamino)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(hexylamino)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(hexylamino)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(hexylamino)pyrimidin-5-yl]acrylic acid Formula: C13H19N3O2 MolecularWeight: 249.30886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC=C(C=N1)C=CC(=O)O

Isomeric SMILES

CCCCCCNC1=NC=C(C=N1)/C=C/C(=O)O

InChI

InChI=1S/C13H19N3O2/c1-2-3-4-5-8-14-13-15-9-11(10-16-13)6-7-12(17)18/h6-7,9-10H,2-5,8H2,1H3,(H,17,18)(H,14,15,16)/b7-6+