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

Systemtic Name: N-methyl-N-(4-methylphenyl)-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanyl-pyrimidin-2-amine hydrate hydrobromide Openeye Name: N-methyl-4,6-bis[(1-methyl-4-piperidyl)oxy]-5-methylsulfanyl-N-(p-tolyl)pyrimidin-2-amine hydrate hydrobromide CAS Name: N-methyl-N-(4-methylphenyl)-4,6-bis[(1-methyl-4-piperidinyl)oxy]-5-(methylthio)-2-pyrimidinamine hydrate hydrobromide IUPAC Name: N-methyl-N-(4-methylphenyl)-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanylpyrimidin-2-amine hydrate hydrobromide Traditional Name: [4,6-bis[(1-methyl-4-piperidyl)oxy]-5-(methylthio)pyrimidin-2-yl]-methyl-(p-tolyl)amine hydrate hydrobromide Formula: C25H40BrN5O3S MolecularWeight: 570.5858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)C2=NC(=C(C(=N2)OC3CCN(CC3)C)SC)OC4CCN(CC4)C.O.Br

Isomeric SMILES

CC1=CC=C(C=C1)N(C)C2=NC(=C(C(=N2)OC3CCN(CC3)C)SC)OC4CCN(CC4)C.O.Br

InChI

InChI=1S/C25H37N5O2S.BrH.H2O/c1-18-6-8-19(9-7-18)30(4)25-26-23(31-20-10-14-28(2)15-11-20)22(33-5)24(27-25)32-21-12-16-29(3)17-13-21;;/h6-9,20-21H,10-17H2,1-5H3;1H;1H2