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

Systemtic Name: 2-azanyl-1-dodecanoyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-dodecanoyl-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(1-oxododecyl)-6-purinone IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-dodecanoylpurin-6-one Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-1-lauroyl-purin-6-one Formula: C22H35N5O6 MolecularWeight: 465.5432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N1C(=O)C2=C(N=C1N)N(C=N2)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)N1C(=O)C2=C(N=C1N)N(C=N2)C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C22H35N5O6/c1-2-3-4-5-6-7-8-9-10-11-15(29)27-20(32)16-19(25-22(27)23)26(13-24-16)21-18(31)17(30)14(12-28)33-21/h13-14,17-18,21,28,30-31H,2-12H2,1H3,(H2,23,25)