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

Systemtic Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(2-oxidanylbutyl)benzenesulfonamide Openeye Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(2-hydroxybutyl)benzenesulfonamide CAS Name: 4-[[5-cyano-4-(ethylamino)-2-pyrimidinyl]amino]-N-(2-hydroxybutyl)benzenesulfonamide IUPAC Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(2-hydroxybutyl)benzenesulfonamide Traditional Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(2-hydroxybutyl)benzenesulfonamide Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC)C#N)O

Isomeric SMILES

CCC(CNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC)C#N)O

InChI

InChI=1S/C17H22N6O3S/c1-3-14(24)11-21-27(25,26)15-7-5-13(6-8-15)22-17-20-10-12(9-18)16(23-17)19-4-2/h5-8,10,14,21,24H,3-4,11H2,1-2H3,(H2,19,20,22,23)