4-(1,3-benzodioxol-5-ylamino)-6-chloranyl-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-6-chloranyl-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-6-chloro-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-ylamino)-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile Formula: C13H9ClN4O2S MolecularWeight: 320.75416

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)Cl)C#N)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)C#N)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H9ClN4O2S/c1-21-13-17-11(14)8(5-15)12(18-13)16-7-2-3-9-10(4-7)20-6-19-9/h2-4H,6H2,1H3,(H,16,17,18)