disodium 2-azanyl-9-[5-(hydroxymethyl)-4-oxidanyl-3-phosphonato-oxolan-2-yl]-5H-purin-6-one

Systemtic Name: disodium 2-azanyl-9-[5-(hydroxymethyl)-4-oxidanyl-3-phosphonato-oxolan-2-yl]-5H-purin-6-one Openeye Name: disodium 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-phosphonato-tetrahydrofuran-2-yl]-5H-purin-6-one CAS Name: disodium 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-phosphonato-2-oxolanyl]-5H-purin-6-one IUPAC Name: disodium 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-phosphonatooxolan-2-yl]-5H-purin-6-one Traditional Name: disodium 2-amino-9-(4-hydroxy-5-methylol-3-phosphonato-tetrahydrofuran-2-yl)-5H-purin-6-one Formula: C10H12N5Na2O7P MolecularWeight: 391.184881

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(=NC(=NC2=O)N)N1C3C(C(C(O3)CO)O)P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1=NC2C(=NC(=NC2=O)N)N1C3C(C(C(O3)CO)O)P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C10H14N5O7P.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23(19,20)21)5(17)3(1-16)22-9;;/h2-6,9,16-17H,1H2,(H2,11,14,18)(H2,19,20,21);;/q;2*+1/p-2