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

Systemtic Name: 4-[[5-azanyl-6-[(4-ethylphenyl)amino]pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[5-amino-6-(4-ethylanilino)-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)N(CC)CC)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)N(CC)CC)N

InChI

InChI=1S/C22H28N6O2S/c1-4-16-7-9-17(10-8-16)26-21-20(23)22(25-15-24-21)27-18-11-13-19(14-12-18)31(29,30)28(5-2)6-3/h7-15H,4-6,23H2,1-3H3,(H2,24,25,26,27)