[(2S)-1-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxycarbonyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethoxycarbonyl]-2-methyl-propyl]ammonium Formula: C13H21N6O4+ MolecularWeight: 325.34364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)[NH3+]

InChI

InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/p+1/t8-/m0/s1