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

Systemtic Name: N5,1-dimethyl-N2-[(4-methylphenyl)methyl]-N5-[2-[[4-(methylsulfonylmethyl)phenyl]amino]pyrimidin-4-yl]benzimidazole-2,5-diamine hydrochloride Openeye Name: N5,1-dimethyl-N5-[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]-N2-(p-tolylmethyl)benzimidazole-2,5-diamine hydrochloride CAS Name: N5,1-dimethyl-N2-[(4-methylphenyl)methyl]-N5-[2-[4-(methylsulfonylmethyl)anilino]-4-pyrimidinyl]benzimidazole-2,5-diamine hydrochloride IUPAC Name: 5-N,1-dimethyl-2-N-[(4-methylphenyl)methyl]-5-N-[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]benzimidazole-2,5-diamine hydrochloride Traditional Name: [2-[4-(mesylmethyl)anilino]pyrimidin-4-yl]-methyl-[1-methyl-2-[(4-methylbenzyl)amino]benzimidazol-5-yl]amine hydrochloride Formula: C29H32ClN7O2S MolecularWeight: 578.12808

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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=C(C=C5)CS(=O)(=O)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H31N7O2S.ClH/c1-20-5-7-21(8-6-20)18-31-29-33-25-17-24(13-14-26(25)36(29)3)35(2)27-15-16-30-28(34-27)32-23-11-9-22(10-12-23)19-39(4,37)38;/h5-17H,18-19H2,1-4H3,(H,31,33)(H,30,32,34);1H