N-[2-[6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanyl-2-morpholin-4-yl-pyrimidin-4-yl]oxyethyl]-N-propan-2-yl-propan-2-amine hydrate hydrobromide

Systemtic Name: N-[2-[6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanyl-2-morpholin-4-yl-pyrimidin-4-yl]oxyethyl]-N-propan-2-yl-propan-2-amine hydrate hydrobromide Openeye Name: N-isopropyl-N-[2-[6-[(1-methyl-4-piperidyl)oxy]-5-methylsulfanyl-2-morpholino-pyrimidin-4-yl]oxyethyl]propan-2-amine hydrate hydrobromide CAS Name: N-[2-[[6-[(1-methyl-4-piperidinyl)oxy]-5-(methylthio)-2-(4-morpholinyl)-4-pyrimidinyl]oxy]ethyl]-N-propan-2-yl-2-propanamine hydrate hydrobromide IUPAC Name: N-[2-[6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanyl-2-morpholin-4-ylpyrimidin-4-yl]oxyethyl]-N-propan-2-ylpropan-2-amine hydrate hydrobromide Traditional Name: diisopropyl-[2-[6-[(1-methyl-4-piperidyl)oxy]-5-(methylthio)-2-morpholino-pyrimidin-4-yl]oxyethyl]amine hydrate hydrobromide Formula: C23H44BrN5O4S MolecularWeight: 566.59556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCOC1=NC(=NC(=C1SC)OC2CCN(CC2)C)N3CCOCC3)C(C)C.O.Br

Isomeric SMILES

CC(C)N(CCOC1=NC(=NC(=C1SC)OC2CCN(CC2)C)N3CCOCC3)C(C)C.O.Br

InChI

InChI=1S/C23H41N5O3S.BrH.H2O/c1-17(2)28(18(3)4)13-16-30-21-20(32-6)22(31-19-7-9-26(5)10-8-19)25-23(24-21)27-11-14-29-15-12-27;;/h17-19H,7-16H2,1-6H3;1H;1H2