(E)-3-[2-[[(2S)-butan-2-yl]amino]pyrimidin-5-yl]prop-2-enoate

Systemtic Name: (E)-3-[2-[[(2S)-butan-2-yl]amino]pyrimidin-5-yl]prop-2-enoate Openeye Name: (E)-3-[2-[[(1S)-1-methylpropyl]amino]pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[2-[[(2S)-butan-2-yl]amino]-5-pyrimidinyl]-2-propenoate IUPAC Name: (E)-3-[2-[[(2S)-butan-2-yl]amino]pyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[2-[[(1S)-1-methylpropyl]amino]pyrimidin-5-yl]acrylate Formula: C11H14N3O2- MolecularWeight: 220.24776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=C(C=N1)C=CC(=O)[O-]

Isomeric SMILES

CC[C@H](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)/p-1/b5-4+/t8-/m0/s1