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

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-5-methylsulfonyl-4-(2-pyrimidinylamino)benzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzamide Traditional Name: N-(diaminomethylene)-2-ethyl-5-mesyl-4-(2-pyrimidylamino)benzamide Formula: C15H18N6O3S MolecularWeight: 362.40682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)NC2=NC=CC=N2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)NC2=NC=CC=N2

InChI

InChI=1S/C15H18N6O3S/c1-3-9-7-11(20-15-18-5-4-6-19-15)12(25(2,23)24)8-10(9)13(22)21-14(16)17/h4-8H,3H2,1-2H3,(H,18,19,20)(H4,16,17,21,22)