2-azanyl-8-bromanyl-1-hexadecanoyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-one

Systemtic Name: 2-azanyl-8-bromanyl-1-hexadecanoyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-one Openeye Name: 2-amino-8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-hexadecanoyl-purin-6-one CAS Name: 2-amino-8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(1-oxohexadecyl)-6-purinone IUPAC Name: 2-amino-8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-hexadecanoylpurin-6-one Traditional Name: 2-amino-8-bromo-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-1-hexadecanoyl-purin-6-one Formula: C26H42BrN5O6 MolecularWeight: 600.54558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1C(=O)C2=C(N=C1N)N(C(=N2)Br)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1C(=O)C2=C(N=C1N)N(C(=N2)Br)C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C26H42BrN5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(34)31-23(37)19-22(30-26(31)28)32(25(27)29-19)24-21(36)20(35)17(16-33)38-24/h17,20-21,24,33,35-36H,2-16H2,1H3,(H2,28,30)