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

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-octanoyl-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-octanoyl-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(1-oxooctyl)-6-purinone IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-octanoylpurin-6-one Traditional Name: 2-amino-1-caprylyl-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-one Formula: C18H27N5O6 MolecularWeight: 409.43688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O6/c1-2-3-4-5-6-7-11(25)23-16(28)12-15(21-18(23)19)22(9-20-12)17-14(27)13(26)10(8-24)29-17/h9-10,13-14,17,24,26-27H,2-8H2,1H3,(H2,19,21)