N-(2-cyanoethyl)-4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: N-(2-cyanoethyl)-4-[[5-cyano-4-(ethylamino)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C16H17N7O2S MolecularWeight: 371.41688

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

CCNC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C16H17N7O2S/c1-2-19-15-12(10-18)11-20-16(23-15)22-13-4-6-14(7-5-13)26(24,25)21-9-3-8-17/h4-7,11,21H,2-3,9H2,1H3,(H2,19,20,22,23)