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

Systemtic Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[[5-cyano-4-(ethylamino)-2-pyrimidinyl]amino]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-propargyl-benzenesulfonamide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O2S/c1-3-9-20-25(23,24)14-7-5-13(6-8-14)21-16-19-11-12(10-17)15(22-16)18-4-2/h1,5-8,11,20H,4,9H2,2H3,(H2,18,19,21,22)