2-(3,5-dimethylpiperazin-1-yl)-5-[2,3,5-tris(chloranyl)phenyl]pyrimidin-4-amine; methanesulfonate

Systemtic Name: 2-(3,5-dimethylpiperazin-1-yl)-5-[2,3,5-tris(chloranyl)phenyl]pyrimidin-4-amine; methanesulfonate Openeye Name: 2-(3,5-dimethylpiperazin-1-yl)-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine; methanesulfonate CAS Name: 2-(3,5-dimethyl-1-piperazinyl)-5-(2,3,5-trichlorophenyl)-4-pyrimidinamine; methanesulfonate IUPAC Name: 2-(3,5-dimethylpiperazin-1-yl)-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine; methanesulfonate Traditional Name: [2-(3,5-dimethylpiperazino)-5-(2,3,5-trichlorophenyl)pyrimidin-4-yl]amine mesylate Formula: C17H21Cl3N5O3S- MolecularWeight: 481.80434

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=NC=C(C(=N2)N)C3=CC(=CC(=C3Cl)Cl)Cl.CS(=O)(=O)[O-]

Isomeric SMILES

CC1CN(CC(N1)C)C2=NC=C(C(=N2)N)C3=CC(=CC(=C3Cl)Cl)Cl.CS(=O)(=O)[O-]

InChI

InChI=1S/C16H18Cl3N5.CH4O3S/c1-8-6-24(7-9(2)22-8)16-21-5-12(15(20)23-16)11-3-10(17)4-13(18)14(11)19;1-5(2,3)4/h3-5,8-9,22H,6-7H2,1-2H3,(H2,20,21,23);1H3,(H,2,3,4)/p-1