[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1-ethyl-2-methoxy-cyclobutyl]methanetriolate

Systemtic Name: [2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1-ethyl-2-methoxy-cyclobutyl]methanetriolate Openeye Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-1-ethyl-2-methoxy-cyclobutyl]methanetriolate CAS Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-1-ethyl-2-methoxycyclobutyl]methanetriolate IUPAC Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-1-ethyl-2-methoxycyclobutyl]methanetriolate Traditional Name: [2-(2-amino-6-keto-3H-purin-9-yl)-1-ethyl-2-methoxy-cyclobutyl]methanetriolate Formula: C13H16N5O5-3 MolecularWeight: 322.29664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC1(N2C=NC3=C2NC(=NC3=O)N)OC)C([O-])([O-])[O-]

Isomeric SMILES

CCC1(CCC1(N2C=NC3=C2NC(=NC3=O)N)OC)C([O-])([O-])[O-]

InChI

InChI=1S/C13H16N5O5/c1-3-11(13(20,21)22)4-5-12(11,23-2)18-6-15-7-8(18)16-10(14)17-9(7)19/h6H,3-5H2,1-2H3,(H3,14,16,17,19)/q-3