5-(6-aminopurin-9-yl)-4-[6-(hexadecylamino)hexoxy]-2-(hydroxymethyl)oxolan-3-ol

Systemtic Name: 5-(6-aminopurin-9-yl)-4-[6-(hexadecylamino)hexoxy]-2-(hydroxymethyl)oxolan-3-ol Openeye Name: 5-(6-aminopurin-9-yl)-4-[6-(hexadecylamino)hexoxy]-2-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: 5-(6-aminopurin-9-yl)-4-[6-(hexadecylamino)hexoxy]-2-(hydroxymethyl)-3-oxolanol IUPAC Name: 5-(6-aminopurin-9-yl)-4-[6-(hexadecylamino)hexoxy]-2-(hydroxymethyl)oxolan-3-ol Traditional Name: 5-adenin-9-yl-4-[6-(cetylamino)hexoxy]-2-methylol-tetrahydrofuran-3-ol Formula: C32H58N6O4 MolecularWeight: 590.84072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNCCCCCCOC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNCCCCCCOC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O

InChI

InChI=1S/C32H58N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-34-21-18-15-16-19-22-41-29-28(40)26(23-39)42-32(29)38-25-37-27-30(33)35-24-36-31(27)38/h24-26,28-29,32,34,39-40H,2-23H2,1H3,(H2,33,35,36)