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4-(2-adamantyl)-3-ethyl-2-piperidin-4-yl-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride
4-(2-adamantyl)-3-ethyl-2-piperidin-4-yl-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride
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Descriptors Computed from Structure
Canonical SMILES:
CCN1C(=NC2=CC=NC2=C1C3C4CC5CC(C4)CC3C5)C6CCNCC6.O.Cl
Isomeric SMILES
CCN1C(=NC2=CC=NC2=C1C3C4CC5CC(C4)CC3C5)C6CCNCC6.O.Cl
InChI
InChI=1S/C23H32N4.ClH.H2O/c1-2-27-22(20-17-10-14-9-15(12-17)13-18(20)11-14)21-19(5-8-25-21)26-23(27)16-3-6-24-7-4-16;;/h5,8,14-18,20,24H,2-4,6-7,9-13H2,1H3;1H;1H2
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