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

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-4-[methyl(pyrimidin-2-yl)amino]-5-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-4-[methyl(pyrimidin-2-yl)amino]-5-methylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-4-[methyl(2-pyrimidinyl)amino]-5-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-4-[methyl(pyrimidin-2-yl)amino]-5-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-5-mesyl-4-[methyl(2-pyrimidyl)amino]benzamide Formula: C16H20N6O3S MolecularWeight: 376.4334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N(C)C2=NC=CC=N2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N(C)C2=NC=CC=N2

InChI

InChI=1S/C16H20N6O3S/c1-4-10-8-12(22(2)16-19-6-5-7-20-16)13(26(3,24)25)9-11(10)14(23)21-15(17)18/h5-9H,4H2,1-3H3,(H4,17,18,21,23)