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

Systemtic Name: 2-azanyl-1-dodecyl-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-dodecyl-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-dodecyl-6-purinone IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-dodecylpurin-6-one Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-1-lauryl-purin-6-one Formula: C22H37N5O5 MolecularWeight: 451.55968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C2=C(N=C1N)N(C=N2)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C2=C(N=C1N)N(C=N2)C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C22H37N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-26-20(31)16-19(25-22(26)23)27(14-24-16)21-18(30)17(29)15(13-28)32-21/h14-15,17-18,21,28-30H,2-13H2,1H3,(H2,23,25)