2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purine-8-carboxylate

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purine-8-carboxylate Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purine-8-carboxylate CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purine-8-carboxylate IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purine-8-carboxylate Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-keto-3H-purine-8-carboxylate Formula: C11H12N5O7- MolecularWeight: 326.24228

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)N=C2C(=O)[O-])O)O)O

Isomeric SMILES

C(C1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)N=C2C(=O)[O-])O)O)O

InChI

InChI=1S/C11H13N5O7/c12-11-14-6-3(8(20)15-11)13-7(10(21)22)16(6)9-5(19)4(18)2(1-17)23-9/h2,4-5,9,17-19H,1H2,(H,21,22)(H3,12,14,15,20)/p-1