sodium 4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butan-1-olate

Systemtic Name: sodium 4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butan-1-olate Openeye Name: sodium 4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butan-1-olate CAS Name: sodium 4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-1-butanolate IUPAC Name: sodium 4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butan-1-olate Traditional Name: sodium 4-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-butan-1-olate Formula: C10H14N5NaO3 MolecularWeight: 275.23963

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(CO)C[O-])NC(=NC2=O)N.[Na+]

Isomeric SMILES

C1=NC2=C(N1CCC(CO)C[O-])NC(=NC2=O)N.[Na+]

InChI

InChI=1S/C10H14N5O3.Na/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17;/h5-6,16H,1-4H2,(H3,11,13,14,18);/q-1;+1