9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-methyl-7-propyl-3H-purine-6,8-dione

Systemtic Name: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-methyl-7-propyl-3H-purine-6,8-dione Openeye Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methyl-7-propyl-3H-purine-6,8-dione CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-methyl-7-propyl-3H-purine-6,8-dione IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-7-propyl-3H-purine-6,8-dione Traditional Name: 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-2-methyl-7-propyl-3H-purine-6,8-quinone Formula: C14H20N4O6 MolecularWeight: 340.3318

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(NC(=NC2=O)C)N(C1=O)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CCCN1C2=C(NC(=NC2=O)C)N(C1=O)C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C14H20N4O6/c1-3-4-17-8-11(15-6(2)16-12(8)22)18(14(17)23)13-10(21)9(20)7(5-19)24-13/h7,9-10,13,19-21H,3-5H2,1-2H3,(H,15,16,22)