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

Systemtic Name: (E)-3-[2-(hexylamino)pyrimidin-5-yl]prop-2-enoate Openeye Name: (E)-3-[2-(hexylamino)pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[2-(hexylamino)-5-pyrimidinyl]-2-propenoate IUPAC Name: (E)-3-[2-(hexylamino)pyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[2-(hexylamino)pyrimidin-5-yl]acrylate Formula: C13H18N3O2- MolecularWeight: 248.30092

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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)/p-1/b7-6+