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

Systemtic Name: [(2R)-3-(1,7-dimethyl-6-oxidanylidene-purin-2-yl)oxy-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2R)-3-(1,7-dimethyl-6-oxo-purin-2-yl)oxy-2-hydroxy-propyl]-isopropyl-ammonium CAS Name: [(2R)-3-[(1,7-dimethyl-6-oxo-2-purinyl)oxy]-2-hydroxypropyl]-propan-2-ylammonium IUPAC Name: [(2R)-3-(1,7-dimethyl-6-oxopurin-2-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-(6-keto-1,7-dimethyl-purin-2-yl)oxy-propyl]-isopropyl-ammonium Formula: C13H22N5O3+ MolecularWeight: 296.34548

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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

Isomeric SMILES

CC(C)[NH2+]C[C@H](COC1=NC2=C(C(=O)N1C)N(C=N2)C)O

InChI

InChI=1S/C13H21N5O3/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/p+1/t9-/m1/s1