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

Systemtic Name: 2-azanyl-1-dodecanoyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-one Openeye Name: 2-amino-1-dodecanoyl-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-one CAS Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(1-oxododecyl)-6-purinone IUPAC Name: 2-amino-1-dodecanoyl-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one Traditional Name: 2-amino-9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-1-lauroyl-purin-6-one Formula: C22H35N5O5 MolecularWeight: 449.5438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O5/c1-2-3-4-5-6-7-8-9-10-11-17(30)27-21(31)19-20(25-22(27)23)26(14-24-19)18-12-15(29)16(13-28)32-18/h14-16,18,28-29H,2-13H2,1H3,(H2,23,25)