5-[(6-azanyl-8-propan-2-yl-purin-3-yl)methyl]-2-methoxy-phenol hydrate hydrochloride

Systemtic Name: 5-[(6-azanyl-8-propan-2-yl-purin-3-yl)methyl]-2-methoxy-phenol hydrate hydrochloride Openeye Name: 5-[(6-amino-8-isopropyl-purin-3-yl)methyl]-2-methoxy-phenol hydrate hydrochloride CAS Name: 5-[(6-amino-8-propan-2-yl-3-purinyl)methyl]-2-methoxyphenol hydrate hydrochloride IUPAC Name: 5-[(6-amino-8-propan-2-ylpurin-3-yl)methyl]-2-methoxyphenol hydrate hydrochloride Traditional Name: 5-[(6-amino-8-isopropyl-purin-3-yl)methyl]-2-methoxy-phenol hydrate hydrochloride Formula: C16H22ClN5O3 MolecularWeight: 367.83058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)O)N.O.Cl

Isomeric SMILES

CC(C)C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)O)N.O.Cl

InChI

InChI=1S/C16H19N5O2.ClH.H2O/c1-9(2)15-19-13-14(17)18-8-21(16(13)20-15)7-10-4-5-12(23-3)11(22)6-10;;/h4-6,8-9,22H,7,17H2,1-3H3;1H;1H2