4-[[5-azanyl-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[5-azanyl-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[5-amino-6-(3,5-dimethylphenoxy)-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)N

InChI

InChI=1S/C22H27N5O3S/c1-5-27(6-2)31(28,29)19-9-7-17(8-10-19)26-21-20(23)22(25-14-24-21)30-18-12-15(3)11-16(4)13-18/h7-14H,5-6,23H2,1-4H3,(H,24,25,26)