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

Systemtic Name: N,N-diethyl-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanyl-pyrimidin-2-amine hydrate hydrobromide Openeye Name: N,N-diethyl-4,6-bis[(1-methyl-4-piperidyl)oxy]-5-methylsulfanyl-pyrimidin-2-amine hydrate hydrobromide CAS Name: N,N-diethyl-4,6-bis[(1-methyl-4-piperidinyl)oxy]-5-(methylthio)-2-pyrimidinamine hydrate hydrobromide IUPAC Name: N,N-diethyl-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]-diethyl-amine hydrate hydrobromide Formula: C21H40BrN5O3S MolecularWeight: 522.543

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=C(C(=N1)OC2CCN(CC2)C)SC)OC3CCN(CC3)C.O.Br

Isomeric SMILES

CCN(CC)C1=NC(=C(C(=N1)OC2CCN(CC2)C)SC)OC3CCN(CC3)C.O.Br

InChI

InChI=1S/C21H37N5O2S.BrH.H2O/c1-6-26(7-2)21-22-19(27-16-8-12-24(3)13-9-16)18(29-5)20(23-21)28-17-10-14-25(4)15-11-17;;/h16-17H,6-15H2,1-5H3;1H;1H2