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

Systemtic Name: 3-[[4-[methyl-[1-methyl-2-(1-phenylethylamino)benzimidazol-5-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[methyl-[1-methyl-2-(1-phenylethylamino)benzimidazol-5-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[methyl-[1-methyl-2-(1-phenylethylamino)-5-benzimidazolyl]amino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[methyl-[1-methyl-2-(1-phenylethylamino)benzimidazol-5-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[methyl-[1-methyl-2-(1-phenylethylamino)benzimidazol-5-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C27H28N8O2S MolecularWeight: 528.62862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC3=C(N2C)C=CC(=C3)N(C)C4=NC(=NC=C4)NC5=CC(=CC=C5)S(=O)(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC3=C(N2C)C=CC(=C3)N(C)C4=NC(=NC=C4)NC5=CC(=CC=C5)S(=O)(=O)N

InChI

InChI=1S/C27H28N8O2S/c1-18(19-8-5-4-6-9-19)30-27-32-23-17-21(12-13-24(23)35(27)3)34(2)25-14-15-29-26(33-25)31-20-10-7-11-22(16-20)38(28,36)37/h4-18H,1-3H3,(H,30,32)(H2,28,36,37)(H,29,31,33)