2-[6-azanyl-3,5-dicyano-4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridin-2-yl]sulfanylethanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridin-2-yl]sulfanylethanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-pyridyl]sulfanyl]acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2-pyridinyl]thio]acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridin-2-yl]sulfanylacetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-[4-(4-methylpiperazino)sulfonylphenyl]-2-pyridyl]thio]acetamide Formula: C20H21N7O3S2 MolecularWeight: 471.55584

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=C(C(=NC(=C3C#N)SCC(=O)N)N)C#N

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=C(C(=NC(=C3C#N)SCC(=O)N)N)C#N

InChI

InChI=1S/C20H21N7O3S2/c1-26-6-8-27(9-7-26)32(29,30)14-4-2-13(3-5-14)18-15(10-21)19(24)25-20(16(18)11-22)31-12-17(23)28/h2-5H,6-9,12H2,1H3,(H2,23,28)(H2,24,25)