(E)-3-[4-(cyclopropylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(cyclopropylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-(cyclopropylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[4-(cyclopropylamino)-2-(methylthio)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(cyclopropylamino)-2-methylsulfanylpyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-(cyclopropylamino)-2-(methylthio)pyrimidin-5-yl]acrylic acid Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2CC2)C=CC(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2CC2)/C=C/C(=O)O

InChI

InChI=1S/C11H13N3O2S/c1-17-11-12-6-7(2-5-9(15)16)10(14-11)13-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,15,16)(H,12,13,14)/b5-2+