sodium 2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]purin-1-id-6-one

Systemtic Name: sodium 2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]purin-1-id-6-one Openeye Name: sodium 2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]purin-1-id-6-one CAS Name: sodium 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-6-purin-1-idone IUPAC Name: sodium 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)purin-1-id-6-one Traditional Name: sodium 2-amino-9-[(2-hydroxy-1-methylol-ethoxy)methyl]purin-1-id-6-one Formula: C9H12N5NaO4 MolecularWeight: 277.21245

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COC(CO)CO)N=C([N-]C2=O)N.[Na+]

Isomeric SMILES

C1=NC2=C(N1COC(CO)CO)N=C([N-]C2=O)N.[Na+]

InChI

InChI=1S/C9H13N5O4.Na/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16;/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17);/q;+1/p-1