3-[[4-[methyl-[1-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-[methyl-[1-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[[2-(isopropylamino)-1-methyl-benzimidazol-5-yl]-methyl-amino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[methyl-[1-methyl-2-(propan-2-ylamino)-5-benzimidazolyl]amino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[methyl-[1-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[[2-(isopropylamino)-1-methyl-benzimidazol-5-yl]-methyl-amino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C22H26N8O2S MolecularWeight: 466.55924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC2=C(N1C)C=CC(=C2)N(C)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

CC(C)NC1=NC2=C(N1C)C=CC(=C2)N(C)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C22H26N8O2S/c1-14(2)25-22-27-18-13-16(8-9-19(18)30(22)4)29(3)20-10-11-24-21(28-20)26-15-6-5-7-17(12-15)33(23,31)32/h5-14H,1-4H3,(H,25,27)(H2,23,31,32)(H,24,26,28)