2-azanyl-9-[5-(hydroxymethyl)-2-methoxy-4-oxidanyl-oxolan-3-yl]-3H-purin-6-one; ethanoic acid

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-2-methoxy-4-oxidanyl-oxolan-3-yl]-3H-purin-6-one; ethanoic acid Openeye Name: acetic acid; 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-2-methoxy-tetrahydrofuran-3-yl]-3H-purin-6-one CAS Name: acetic acid; 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxolanyl]-3H-purin-6-one IUPAC Name: acetic acid; 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-2-methoxyoxolan-3-yl]-3H-purin-6-one Traditional Name: acetic acid; 2-amino-9-(4-hydroxy-2-methoxy-5-methylol-tetrahydrofuran-3-yl)-3H-purin-6-one Formula: C13H19N5O7 MolecularWeight: 357.31926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1C(C(C(O1)CO)O)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC(=O)O.COC1C(C(C(O1)CO)O)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C11H15N5O5.C2H4O2/c1-20-10-6(7(18)4(2-17)21-10)16-3-13-5-8(16)14-11(12)15-9(5)19;1-2(3)4/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19);1H3,(H,3,4)