6-tert-butyl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride

Systemtic Name: 6-tert-butyl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 6-tert-butyl-2-methyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 6-tert-butyl-2-methyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 6-tert-butyl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 6-tert-butyl-2-methyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C16H27ClN4O MolecularWeight: 326.86478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C(C)(C)C.O.Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C(C)(C)C.O.Cl

InChI

InChI=1S/C16H24N4.ClH.H2O/c1-11-17-12-10-13(16(2,3)4)19-14(12)15(18-11)20-8-6-5-7-9-20;;/h10,19H,5-9H2,1-4H3;1H;1H2