4-[[4-(butylamino)-5-cyano-pyrimidin-2-yl]amino]-N-(1-ethylsulfanylethyl)benzenesulfonamide

Systemtic Name: 4-[[4-(butylamino)-5-cyano-pyrimidin-2-yl]amino]-N-(1-ethylsulfanylethyl)benzenesulfonamide Openeye Name: 4-[[4-(butylamino)-5-cyano-pyrimidin-2-yl]amino]-N-(1-ethylsulfanylethyl)benzenesulfonamide CAS Name: 4-[[4-(butylamino)-5-cyano-2-pyrimidinyl]amino]-N-[1-(ethylthio)ethyl]benzenesulfonamide IUPAC Name: 4-[[4-(butylamino)-5-cyanopyrimidin-2-yl]amino]-N-(1-ethylsulfanylethyl)benzenesulfonamide Traditional Name: 4-[[4-(butylamino)-5-cyano-pyrimidin-2-yl]amino]-N-[1-(ethylthio)ethyl]benzenesulfonamide Formula: C19H26N6O2S2 MolecularWeight: 434.57874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)NC(C)SCC

Isomeric SMILES

CCCCNC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)NC(C)SCC

InChI

InChI=1S/C19H26N6O2S2/c1-4-6-11-21-18-15(12-20)13-22-19(24-18)23-16-7-9-17(10-8-16)29(26,27)25-14(3)28-5-2/h7-10,13-14,25H,4-6,11H2,1-3H3,(H2,21,22,23,24)