9-[2-hexadecanoyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 9-[2-hexadecanoyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[2-hexadecanoyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-(1-oxohexadecyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 9-[2-hexadecanoyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 9-(2-hexadecanoyl-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C26H42N4O6 MolecularWeight: 506.63488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1(C(C(C(O1)CO)O)O)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1(C(C(C(O1)CO)O)O)N2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C26H42N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(32)26(23(34)22(33)19(16-31)36-26)30-18-29-21-24(30)27-17-28-25(21)35/h17-19,22-23,31,33-34H,2-16H2,1H3,(H,27,28,35)