6-(1-adamantyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride

Systemtic Name: 6-(1-adamantyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 6-(1-adamantyl)-2-methyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 6-(1-adamantyl)-2-methyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 6-(1-adamantyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 6-(1-adamantyl)-2-methyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C22H33ClN4O MolecularWeight: 404.97662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C45CC6CC(C4)CC(C6)C5.O.Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C45CC6CC(C4)CC(C6)C5.O.Cl

InChI

InChI=1S/C22H30N4.ClH.H2O/c1-14-23-18-10-19(22-11-15-7-16(12-22)9-17(8-15)13-22)25-20(18)21(24-14)26-5-3-2-4-6-26;;/h10,15-17,25H,2-9,11-13H2,1H3;1H;1H2