[[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] butanoate

Systemtic Name: [[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] butanoate Openeye Name: [[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] butanoate CAS Name: butanoic acid [[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl] ester IUPAC Name: [[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] butanoate Traditional Name: butyric acid [[3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester Formula: C14H19N4O9P MolecularWeight: 418.295821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=O)O)O

Isomeric SMILES

CCCC(=O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=O)O)O

InChI

InChI=1S/C14H19N4O9P/c1-2-3-8(19)27-28(23,24)25-4-7-10(20)11(21)14(26-7)18-6-17-9-12(18)15-5-16-13(9)22/h5-7,10-11,14,20-21H,2-4H2,1H3,(H,23,24)(H,15,16,22)