N5,1-dimethyl-N5-[2-[(4-methyl-3-methylsulfonyl-phenyl)amino]pyrimidin-4-yl]-N2-phenyl-benzimidazole-2,5-diamine

Systemtic Name: N5,1-dimethyl-N5-[2-[(4-methyl-3-methylsulfonyl-phenyl)amino]pyrimidin-4-yl]-N2-phenyl-benzimidazole-2,5-diamine Openeye Name: N5,1-dimethyl-N5-[2-(4-methyl-3-methylsulfonyl-anilino)pyrimidin-4-yl]-N2-phenyl-benzimidazole-2,5-diamine CAS Name: N5,1-dimethyl-N5-[2-(4-methyl-3-methylsulfonylanilino)-4-pyrimidinyl]-N2-phenylbenzimidazole-2,5-diamine IUPAC Name: 5-N,1-dimethyl-5-N-[2-(4-methyl-3-methylsulfonylanilino)pyrimidin-4-yl]-2-N-phenylbenzimidazole-2,5-diamine Traditional Name: (2-anilino-1-methyl-benzimidazol-5-yl)-[2-(3-mesyl-4-methyl-anilino)pyrimidin-4-yl]-methyl-amine Formula: C27H27N7O2S MolecularWeight: 513.61398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=C(C=C3)N(C(=N4)NC5=CC=CC=C5)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=C(C=C3)N(C(=N4)NC5=CC=CC=C5)C)S(=O)(=O)C

InChI

InChI=1S/C27H27N7O2S/c1-18-10-11-20(16-24(18)37(4,35)36)29-26-28-15-14-25(32-26)33(2)21-12-13-23-22(17-21)31-27(34(23)3)30-19-8-6-5-7-9-19/h5-17H,1-4H3,(H,30,31)(H,28,29,32)