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2,6-dimethyl-7-phenoxy-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride
2,6-dimethyl-7-phenoxy-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride
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Descriptors Computed from Structure
Canonical SMILES:
CC1=C(C2=C(N1)C(=NC(=N2)C)N3CCCCC3)OC4=CC=CC=C4.O.Cl
Isomeric SMILES
CC1=C(C2=C(N1)C(=NC(=N2)C)N3CCCCC3)OC4=CC=CC=C4.O.Cl
InChI
InChI=1S/C19H22N4O.ClH.H2O/c1-13-18(24-15-9-5-3-6-10-15)16-17(20-13)19(22-14(2)21-16)23-11-7-4-8-12-23;;/h3,5-6,9-10,20H,4,7-8,11-12H2,1-2H3;1H;1H2
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