[2-aminocarbonyl-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-3-yl]methanolate

Systemtic Name: [2-aminocarbonyl-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-3-yl]methanolate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-carbamoyl-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]methanolate CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-carbamoyl-3,4-dihydroxy-2-(hydroxymethyl)-3-oxolanyl]methanolate IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-carbamoyl-3,4-dihydroxy-2-(hydroxymethyl)oxolan-3-yl]methanolate Traditional Name: [5-(2-amino-6-keto-3H-purin-9-yl)-2-carbamoyl-3,4-dihydroxy-2-methylol-tetrahydrofuran-3-yl]methanolate Formula: C12H15N6O7- MolecularWeight: 355.2835

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)(CO)C(=O)N)(C[O-])O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)(CO)C(=O)N)(C[O-])O)O)NC(=NC2=O)N

InChI

InChI=1S/C12H15N6O7/c13-9(23)12(2-20)11(24,1-19)5(21)8(25-12)18-3-15-4-6(18)16-10(14)17-7(4)22/h3,5,8,20-21,24H,1-2H2,(H2,13,23)(H3,14,16,17,22)/q-1