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

Systemtic Name: N-[9-[(2R,5S)-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]purin-6-yl]dodecanamide Openeye Name: N-[9-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]dodecanamide CAS Name: N-[9-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]dodecanamide IUPAC Name: N-[9-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]dodecanamide Traditional Name: N-[9-[(2R,5S)-3-hydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]lauramide Formula: C22H35N5O4 MolecularWeight: 433.5444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=NC=NC2=C1N=CN2[C@H]3C(C[C@H](O3)CO)O

InChI

InChI=1S/C22H35N5O4/c1-2-3-4-5-6-7-8-9-10-11-18(30)26-20-19-21(24-14-23-20)27(15-25-19)22-17(29)12-16(13-28)31-22/h14-17,22,28-29H,2-13H2,1H3,(H,23,24,26,30)/t16-,17?,22+/m0/s1