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5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-N-(methylsulfonylmethyl)-4-propyl-piperazin-2-amine hydrate hydrochloride
5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-N-(methylsulfonylmethyl)-4-propyl-piperazin-2-amine hydrate hydrochloride
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Canonical SMILES:
CCCN1CC(N(CC1C2=CNC3=CC=CC=C32)C4=NC=NC=C4OC)NCS(=O)(=O)C.O.Cl
Isomeric SMILES
CCCN1CC(N(CC1C2=CNC3=CC=CC=C32)C4=NC=NC=C4OC)NCS(=O)(=O)C.O.Cl
InChI
InChI=1S/C22H30N6O3S.ClH.H2O/c1-4-9-27-13-21(26-15-32(3,29)30)28(22-20(31-2)11-23-14-25-22)12-19(27)17-10-24-18-8-6-5-7-16(17)18;;/h5-8,10-11,14,19,21,24,26H,4,9,12-13,15H2,1-3H3;1H;1H2
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