5-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-2-methyl-1,3-dioxan-2-olate

Systemtic Name: 5-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-2-methyl-1,3-dioxan-2-olate Openeye Name: 5-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-2-methyl-1,3-dioxan-2-olate CAS Name: 5-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-2-methyl-1,3-dioxan-2-olate IUPAC Name: 5-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-2-methyl-1,3-dioxan-2-olate Traditional Name: 5-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-2-methyl-1,3-dioxan-2-olate Formula: C11H14N5O5- MolecularWeight: 296.25936

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)OCN2C=NC3=C2NC(=NC3=O)N)[O-]

Isomeric SMILES

CC1(OCC(CO1)OCN2C=NC3=C2NC(=NC3=O)N)[O-]

InChI

InChI=1S/C11H14N5O5/c1-11(18)20-2-6(3-21-11)19-5-16-4-13-7-8(16)14-10(12)15-9(7)17/h4,6H,2-3,5H2,1H3,(H3,12,14,15,17)/q-1