2-hexadecanoyl-8-[3,4,5-tris(oxidanyl)oxan-2-yl]-3,7-dihydropurin-6-one

Systemtic Name: 2-hexadecanoyl-8-[3,4,5-tris(oxidanyl)oxan-2-yl]-3,7-dihydropurin-6-one Openeye Name: 2-hexadecanoyl-8-(3,4,5-trihydroxytetrahydropyran-2-yl)-3,7-dihydropurin-6-one CAS Name: 2-(1-oxohexadecyl)-8-(3,4,5-trihydroxy-2-oxanyl)-3,7-dihydropurin-6-one IUPAC Name: 2-hexadecanoyl-8-(3,4,5-trihydroxyoxan-2-yl)-3,7-dihydropurin-6-one Traditional Name: 2-hexadecanoyl-8-(3,4,5-trihydroxytetrahydropyran-2-yl)-3,7-dihydropurin-6-one Formula: C26H42N4O6 MolecularWeight: 506.63488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1=NC(=O)C2=C(N1)N=C(N2)C3C(C(C(CO3)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1=NC(=O)C2=C(N1)N=C(N2)C3C(C(C(CO3)O)O)O

InChI

InChI=1S/C26H42N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(31)23-28-24-19(26(35)30-23)27-25(29-24)22-21(34)20(33)18(32)16-36-22/h18,20-22,32-34H,2-16H2,1H3,(H2,27,28,29,30,35)