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

Systemtic Name: 2-azanyl-8-bromanyl-1-hexadecanoyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-one Openeye Name: 2-amino-8-bromo-1-hexadecanoyl-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-one CAS Name: 2-amino-8-bromo-9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(1-oxohexadecyl)-6-purinone IUPAC Name: 2-amino-8-bromo-1-hexadecanoyl-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one Traditional Name: 2-amino-8-bromo-1-hexadecanoyl-9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-one Formula: C26H42BrN5O5 MolecularWeight: 584.54618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42BrN5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(35)31-24(36)22-23(30-26(31)28)32(25(27)29-22)21-16-18(34)19(17-33)37-21/h18-19,21,33-34H,2-17H2,1H3,(H2,28,30)