N-[bis(azanyl)methylidene]-2-chloranyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-chloranyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzamide Openeye Name: 2-chloro-N-(diaminomethylene)-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzamide CAS Name: 2-chloro-N-(diaminomethylidene)-5-methylsulfonyl-4-(2-pyrimidinylamino)benzamide IUPAC Name: 2-chloro-N-(diaminomethylidene)-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzamide Traditional Name: 2-chloro-N-(diaminomethylene)-5-mesyl-4-(2-pyrimidylamino)benzamide Formula: C13H13ClN6O3S MolecularWeight: 368.79872

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)Cl)NC2=NC=CC=N2

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)Cl)NC2=NC=CC=N2

InChI

InChI=1S/C13H13ClN6O3S/c1-24(22,23)10-5-7(11(21)20-12(15)16)8(14)6-9(10)19-13-17-3-2-4-18-13/h2-6H,1H3,(H,17,18,19)(H4,15,16,20,21)