4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethoxy]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethoxy]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylethoxy]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]ethoxy]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylethoxy]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]ethoxy]-N,N-dimethyl-benzenesulfonamide Formula: C15H17N5O3S2 MolecularWeight: 379.45718

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)OCCSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)OCCSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C15H17N5O3S2/c1-20(2)25(21,22)13-5-3-12(4-6-13)23-7-8-24-15-18-10-11(9-16)14(17)19-15/h3-6,10H,7-8H2,1-2H3,(H2,17,18,19)