(E)-3-[4-(methylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[4-(methylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enenitrile Openeye Name: (E)-3-[4-(methylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enenitrile CAS Name: (E)-3-[4-(methylamino)-2-(methylthio)-5-pyrimidinyl]-2-propenenitrile IUPAC Name: (E)-3-[4-(methylamino)-2-methylsulfanylpyrimidin-5-yl]prop-2-enenitrile Traditional Name: (E)-3-[4-(methylamino)-2-(methylthio)pyrimidin-5-yl]acrylonitrile Formula: C9H10N4S MolecularWeight: 206.2675

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1C=CC#N)SC

Isomeric SMILES

CNC1=NC(=NC=C1/C=C/C#N)SC

InChI

InChI=1S/C9H10N4S/c1-11-8-7(4-3-5-10)6-12-9(13-8)14-2/h3-4,6H,1-2H3,(H,11,12,13)/b4-3+