2-azanyl-1-ethanoyl-9-[2,3,4-triethanoyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-one

Systemtic Name: 2-azanyl-1-ethanoyl-9-[2,3,4-triethanoyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-one Openeye Name: 1-acetyl-2-amino-9-[2,3,4-triacetyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-one CAS Name: 1-acetyl-2-amino-9-[2,3,4-triacetyl-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinone IUPAC Name: 1-acetyl-2-amino-9-[2,3,4-triacetyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one Traditional Name: 1-acetyl-2-amino-9-(2,3,4-triacetyl-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-one Formula: C18H21N5O9 MolecularWeight: 451.38744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(OC(C1(C(=O)C)O)(C(=O)C)N2C=NC3=C2N=C(N(C3=O)C(=O)C)N)CO)O

Isomeric SMILES

CC(=O)C1(C(OC(C1(C(=O)C)O)(C(=O)C)N2C=NC3=C2N=C(N(C3=O)C(=O)C)N)CO)O

InChI

InChI=1S/C18H21N5O9/c1-7(25)16(30)11(5-24)32-18(9(3)27,17(16,31)8(2)26)22-6-20-12-13(22)21-15(19)23(10(4)28)14(12)29/h6,11,24,30-31H,5H2,1-4H3,(H2,19,21)