2-azanyl-1-butanoyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-one

Systemtic Name: 2-azanyl-1-butanoyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-one Openeye Name: 2-amino-1-butanoyl-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-one CAS Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(1-oxobutyl)-6-purinone IUPAC Name: 2-amino-1-butanoyl-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one Traditional Name: 2-amino-1-butyryl-9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-one Formula: C14H19N5O5 MolecularWeight: 337.33116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=O)C2=C(N=C1N)N(C=N2)C3CC(C(O3)CO)O

Isomeric SMILES

CCCC(=O)N1C(=O)C2=C(N=C1N)N(C=N2)C3CC(C(O3)CO)O

InChI

InChI=1S/C14H19N5O5/c1-2-3-9(22)19-13(23)11-12(17-14(19)15)18(6-16-11)10-4-7(21)8(5-20)24-10/h6-8,10,20-21H,2-5H2,1H3,(H2,15,17)