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

Systemtic Name: N5,1-dimethyl-N5-[2-[[3-(methylsulfonylmethyl)phenyl]amino]pyrimidin-4-yl]-N2-(phenylmethyl)benzimidazole-2,5-diamine Openeye Name: N2-benzyl-N5,1-dimethyl-N5-[2-[3-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]benzimidazole-2,5-diamine CAS Name: N5,1-dimethyl-N5-[2-[3-(methylsulfonylmethyl)anilino]-4-pyrimidinyl]-N2-(phenylmethyl)benzimidazole-2,5-diamine IUPAC Name: 2-N-benzyl-5-N,1-dimethyl-5-N-[2-[3-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]benzimidazole-2,5-diamine Traditional Name: [2-(benzylamino)-1-methyl-benzimidazol-5-yl]-[2-[3-(mesylmethyl)anilino]pyrimidin-4-yl]-methyl-amine Formula: C28H29N7O2S MolecularWeight: 527.64056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C)C3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)C)N=C1NCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(C)C3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)C)N=C1NCC5=CC=CC=C5

InChI

InChI=1S/C28H29N7O2S/c1-34(26-14-15-29-27(33-26)31-22-11-7-10-21(16-22)19-38(3,36)37)23-12-13-25-24(17-23)32-28(35(25)2)30-18-20-8-5-4-6-9-20/h4-17H,18-19H2,1-3H3,(H,30,32)(H,29,31,33)