1-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-oxidanyl-tridecan-2-one

Systemtic Name: 1-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-oxidanyl-tridecan-2-one Openeye Name: 1-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1-hydroxy-tridecan-2-one CAS Name: 1-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-1-hydroxy-2-tridecanone IUPAC Name: 1-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-1-hydroxytridecan-2-one Traditional Name: 1-(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)-1-hydroxy-tridecan-2-one Formula: C22H35N5O5 MolecularWeight: 449.5438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C(C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O

InChI

InChI=1S/C22H35N5O5/c1-2-3-4-5-6-7-8-9-10-11-14(28)16(29)19-17(30)18(31)22(32-19)27-13-26-15-20(23)24-12-25-21(15)27/h12-13,16-19,22,29-31H,2-11H2,1H3,(H2,23,24,25)