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

Systemtic Name: (E)-3-[2-azanyl-4-(furan-2-yl)-6-methylsulfanyl-pyrimidin-5-yl]prop-2-enenitrile Openeye Name: (E)-3-[2-amino-4-(2-furyl)-6-methylsulfanyl-pyrimidin-5-yl]prop-2-enenitrile CAS Name: (E)-3-[2-amino-4-(2-furanyl)-6-(methylthio)-5-pyrimidinyl]-2-propenenitrile IUPAC Name: (E)-3-[2-amino-4-(furan-2-yl)-6-methylsulfanylpyrimidin-5-yl]prop-2-enenitrile Traditional Name: (E)-3-[2-amino-4-(2-furyl)-6-(methylthio)pyrimidin-5-yl]acrylonitrile Formula: C12H10N4OS MolecularWeight: 258.299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4OS/c1-18-11-8(4-2-6-13)10(15-12(14)16-11)9-5-3-7-17-9/h2-5,7H,1H3,(H2,14,15,16)/b4-2+