N-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]dodecanamide

Systemtic Name: N-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]dodecanamide Openeye Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]dodecanamide CAS Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]dodecanamide IUPAC Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]dodecanamide Traditional Name: N-[9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-yl]lauramide Formula: C22H35N5O5 MolecularWeight: 449.5438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C22H35N5O5/c1-2-3-4-5-6-7-8-9-10-11-16(29)26-20-17-21(24-13-23-20)27(14-25-17)22-19(31)18(30)15(12-28)32-22/h13-15,18-19,22,28,30-31H,2-12H2,1H3,(H,23,24,26,29)