[3-(1,7-dimethyl-6-oxidanylidene-purin-2-yl)oxy-2-oxidanyl-propyl]-propan-2-yl-azanium chloride hydrate

Systemtic Name: [3-(1,7-dimethyl-6-oxidanylidene-purin-2-yl)oxy-2-oxidanyl-propyl]-propan-2-yl-azanium chloride hydrate Openeye Name: [3-(1,7-dimethyl-6-oxo-purin-2-yl)oxy-2-hydroxy-propyl]-isopropyl-ammonium chloride hydrate CAS Name: [3-[(1,7-dimethyl-6-oxo-2-purinyl)oxy]-2-hydroxypropyl]-propan-2-ylammonium chloride hydrate IUPAC Name: [3-(1,7-dimethyl-6-oxopurin-2-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium chloride hydrate Traditional Name: [2-hydroxy-3-(6-keto-1,7-dimethyl-purin-2-yl)oxy-propyl]-isopropyl-ammonium chloride hydrate Formula: C13H24ClN5O4 MolecularWeight: 349.81376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(COC1=NC2=C(C(=O)N1C)N(C=N2)C)O.O.[Cl-]

Isomeric SMILES

CC(C)[NH2+]CC(COC1=NC2=C(C(=O)N1C)N(C=N2)C)O.O.[Cl-]

InChI

InChI=1S/C13H21N5O3.ClH.H2O/c1-8(2)14-5-9(19)6-21-13-16-11-10(12(20)18(13)4)17(3)7-15-11;;/h7-9,14,19H,5-6H2,1-4H3;1H;1H2