2-azanyl-9-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3-octadecoxy-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3-octadecoxy-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-octadecoxy-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-octadecoxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-octadecoxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-methylol-3-stearyloxy-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C28H49N5O5 MolecularWeight: 535.71916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO)O

InChI

InChI=1S/C28H49N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-37-24-23(35)21(19-34)38-27(24)33-20-30-22-25(33)31-28(29)32-26(22)36/h20-21,23-24,27,34-35H,2-19H2,1H3,(H3,29,31,32,36)/t21-,23-,24-,27-/m1/s1