4-butoxy-N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]benzenesulfonamide

Systemtic Name: 4-butoxy-N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]benzenesulfonamide Openeye Name: 4-butoxy-N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]benzenesulfonamide CAS Name: 4-butoxy-N-[4-[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]amino]phenyl]benzenesulfonamide IUPAC Name: 4-butoxy-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide Traditional Name: 4-butoxy-N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]benzenesulfonamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)N(C)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)N(C)C)C

InChI

InChI=1S/C23H29N5O3S/c1-5-6-15-31-20-11-13-21(14-12-20)32(29,30)27-19-9-7-18(8-10-19)25-23-24-17(2)16-22(26-23)28(3)4/h7-14,16,27H,5-6,15H2,1-4H3,(H,24,25,26)