(E)-3-[2-azanyl-4-(furan-2-yl)-6-methylsulfanyl-pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-azanyl-4-(furan-2-yl)-6-methylsulfanyl-pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-amino-4-(2-furyl)-6-methylsulfanyl-pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-amino-4-(2-furanyl)-6-(methylthio)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-amino-4-(furan-2-yl)-6-methylsulfanylpyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-amino-4-(2-furyl)-6-(methylthio)pyrimidin-5-yl]acrylic acid Formula: C12H11N3O3S MolecularWeight: 277.29904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C=CC(=O)O)C2=CC=CO2)N

Isomeric SMILES

CSC1=NC(=NC(=C1/C=C/C(=O)O)C2=CC=CO2)N

InChI

InChI=1S/C12H11N3O3S/c1-19-11-7(4-5-9(16)17)10(14-12(13)15-11)8-3-2-6-18-8/h2-6H,1H3,(H,16,17)(H2,13,14,15)/b5-4+