2-azanyl-9-[2-[1,3-bis(oxidanyl)propan-2-yloxy]ethoxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2-[1,3-bis(oxidanyl)propan-2-yloxy]ethoxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[2-[2-hydroxy-1-(hydroxymethyl)ethoxy]ethoxymethyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-(1,3-dihydroxypropan-2-yloxy)ethoxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2-(1,3-dihydroxypropan-2-yloxy)ethoxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[2-(2-hydroxy-1-methylol-ethoxy)ethoxymethyl]-3H-purin-6-one Formula: C11H17N5O5 MolecularWeight: 299.28318

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCOC(CO)CO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COCCOC(CO)CO)NC(=NC2=O)N

InChI

InChI=1S/C11H17N5O5/c12-11-14-9-8(10(19)15-11)13-5-16(9)6-20-1-2-21-7(3-17)4-18/h5,7,17-18H,1-4,6H2,(H3,12,14,15,19)