2-azanyl-1-hexadecanoyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-one

Systemtic Name: 2-azanyl-1-hexadecanoyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-one Openeye Name: 2-amino-1-hexadecanoyl-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-one CAS Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(1-oxohexadecyl)-6-purinone IUPAC Name: 2-amino-1-hexadecanoyl-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one Traditional Name: 2-amino-1-hexadecanoyl-9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-one Formula: C26H43N5O5 MolecularWeight: 505.65012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1C(=O)C2=C(N=C1N)N(C=N2)C3CC(C(O3)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1C(=O)C2=C(N=C1N)N(C=N2)C3CC(C(O3)CO)O

InChI

InChI=1S/C26H43N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(34)31-25(35)23-24(29-26(31)27)30(18-28-23)22-16-19(33)20(17-32)36-22/h18-20,22,32-33H,2-17H2,1H3,(H2,27,29)