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

Systemtic Name: (E)-3-[2-(butan-2-ylamino)pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(sec-butylamino)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(butan-2-ylamino)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(butan-2-ylamino)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(sec-butylamino)pyrimidin-5-yl]acrylic acid Formula: C11H15N3O2 MolecularWeight: 221.2557

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=C(C=N1)C=CC(=O)O

Isomeric SMILES

CCC(C)NC1=NC=C(C=N1)/C=C/C(=O)O

InChI

InChI=1S/C11H15N3O2/c1-3-8(2)14-11-12-6-9(7-13-11)4-5-10(15)16/h4-8H,3H2,1-2H3,(H,15,16)(H,12,13,14)/b5-4+