[3-[[4-[methyl-[1-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]amino]pyrimidin-2-yl]amino]phenyl] methanesulfonate hydrochloride

Systemtic Name: [3-[[4-[methyl-[1-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]amino]pyrimidin-2-yl]amino]phenyl] methanesulfonate hydrochloride Openeye Name: [3-[[4-[[2-(isopropylamino)-1-methyl-benzimidazol-5-yl]-methyl-amino]pyrimidin-2-yl]amino]phenyl] methanesulfonate hydrochloride CAS Name: methanesulfonic acid [3-[[4-[methyl-[1-methyl-2-(propan-2-ylamino)-5-benzimidazolyl]amino]-2-pyrimidinyl]amino]phenyl] ester hydrochloride IUPAC Name: [3-[[4-[methyl-[1-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]amino]pyrimidin-2-yl]amino]phenyl] methanesulfonate hydrochloride Traditional Name: methanesulfonic acid [3-[[4-[[2-(isopropylamino)-1-methyl-benzimidazol-5-yl]-methyl-amino]pyrimidin-2-yl]amino]phenyl] ester hydrochloride Formula: C23H28ClN7O3S MolecularWeight: 518.03152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC2=C(N1C)C=CC(=C2)N(C)C3=NC(=NC=C3)NC4=CC(=CC=C4)OS(=O)(=O)C.Cl

Isomeric SMILES

CC(C)NC1=NC2=C(N1C)C=CC(=C2)N(C)C3=NC(=NC=C3)NC4=CC(=CC=C4)OS(=O)(=O)C.Cl

InChI

InChI=1S/C23H27N7O3S.ClH/c1-15(2)25-23-27-19-14-17(9-10-20(19)30(23)4)29(3)21-11-12-24-22(28-21)26-16-7-6-8-18(13-16)33-34(5,31)32;/h6-15H,1-5H3,(H,25,27)(H,24,26,28);1H