4-chloranyl-2-methylsulfanyl-N-(6-nitro-1,3-benzodioxol-5-yl)pyrimidine-5-carboxamide

Systemtic Name: 4-chloranyl-2-methylsulfanyl-N-(6-nitro-1,3-benzodioxol-5-yl)pyrimidine-5-carboxamide Openeye Name: 4-chloro-2-methylsulfanyl-N-(6-nitro-1,3-benzodioxol-5-yl)pyrimidine-5-carboxamide CAS Name: 4-chloro-2-(methylthio)-N-(6-nitro-1,3-benzodioxol-5-yl)-5-pyrimidinecarboxamide IUPAC Name: 4-chloro-2-methylsulfanyl-N-(6-nitro-1,3-benzodioxol-5-yl)pyrimidine-5-carboxamide Traditional Name: 4-chloro-2-(methylthio)-N-(6-nitro-1,3-benzodioxol-5-yl)pyrimidine-5-carboxamide Formula: C13H9ClN4O5S MolecularWeight: 368.75236

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)Cl)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CSC1=NC=C(C(=N1)Cl)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C13H9ClN4O5S/c1-24-13-15-4-6(11(14)17-13)12(19)16-7-2-9-10(23-5-22-9)3-8(7)18(20)21/h2-4H,5H2,1H3,(H,16,19)