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

Systemtic Name: N5,1-dimethyl-N2-[(4-methylphenyl)methyl]-N5-[2-[[3-(2-methylsulfonylethyl)phenyl]amino]pyrimidin-4-yl]benzimidazole-2,5-diamine Openeye Name: N5,1-dimethyl-N5-[2-[3-(2-methylsulfonylethyl)anilino]pyrimidin-4-yl]-N2-(p-tolylmethyl)benzimidazole-2,5-diamine CAS Name: N5,1-dimethyl-N2-[(4-methylphenyl)methyl]-N5-[2-[3-(2-methylsulfonylethyl)anilino]-4-pyrimidinyl]benzimidazole-2,5-diamine IUPAC Name: 5-N,1-dimethyl-2-N-[(4-methylphenyl)methyl]-5-N-[2-[3-(2-methylsulfonylethyl)anilino]pyrimidin-4-yl]benzimidazole-2,5-diamine Traditional Name: [2-[3-(2-mesylethyl)anilino]pyrimidin-4-yl]-methyl-[1-methyl-2-[(4-methylbenzyl)amino]benzimidazol-5-yl]amine Formula: C30H33N7O2S MolecularWeight: 555.69372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2C)C=CC(=C3)N(C)C4=NC(=NC=C4)NC5=CC=CC(=C5)CCS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2C)C=CC(=C3)N(C)C4=NC(=NC=C4)NC5=CC=CC(=C5)CCS(=O)(=O)C

InChI

InChI=1S/C30H33N7O2S/c1-21-8-10-23(11-9-21)20-32-30-34-26-19-25(12-13-27(26)37(30)3)36(2)28-14-16-31-29(35-28)33-24-7-5-6-22(18-24)15-17-40(4,38)39/h5-14,16,18-19H,15,17,20H2,1-4H3,(H,32,34)(H,31,33,35)