N-methyl-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanyl-N-phenyl-pyrimidin-2-amine hydrate hydrobromide

Systemtic Name: N-methyl-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanyl-N-phenyl-pyrimidin-2-amine hydrate hydrobromide Openeye Name: N-methyl-4,6-bis[(1-methyl-4-piperidyl)oxy]-5-methylsulfanyl-N-phenyl-pyrimidin-2-amine hydrate hydrobromide CAS Name: N-methyl-4,6-bis[(1-methyl-4-piperidinyl)oxy]-5-(methylthio)-N-phenyl-2-pyrimidinamine hydrate hydrobromide IUPAC Name: N-methyl-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanyl-N-phenylpyrimidin-2-amine hydrate hydrobromide Traditional Name: [4,6-bis[(1-methyl-4-piperidyl)oxy]-5-(methylthio)pyrimidin-2-yl]-methyl-phenyl-amine hydrate hydrobromide Formula: C24H38BrN5O3S MolecularWeight: 556.55922

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC2=C(C(=NC(=N2)N(C)C3=CC=CC=C3)OC4CCN(CC4)C)SC.O.Br

Isomeric SMILES

CN1CCC(CC1)OC2=C(C(=NC(=N2)N(C)C3=CC=CC=C3)OC4CCN(CC4)C)SC.O.Br

InChI

InChI=1S/C24H35N5O2S.BrH.H2O/c1-27-14-10-19(11-15-27)30-22-21(32-4)23(31-20-12-16-28(2)17-13-20)26-24(25-22)29(3)18-8-6-5-7-9-18;;/h5-9,19-20H,10-17H2,1-4H3;1H;1H2