[[3,4-bis(oxidanyl)-5-purin-9-yl-oxolan-2-yl]-(6-sulfanylidenehexoxy)methyl] dihydrogen phosphate

Systemtic Name: [[3,4-bis(oxidanyl)-5-purin-9-yl-oxolan-2-yl]-(6-sulfanylidenehexoxy)methyl] dihydrogen phosphate Openeye Name: [(3,4-dihydroxy-5-purin-9-yl-tetrahydrofuran-2-yl)-(6-thioxohexoxy)methyl] dihydrogen phosphate CAS Name: [[3,4-dihydroxy-5-(9-purinyl)-2-oxolanyl]-(6-sulfanylidenehexoxy)methyl] dihydrogen phosphate IUPAC Name: [(3,4-dihydroxy-5-purin-9-yloxolan-2-yl)-(6-sulfanylidenehexoxy)methyl] dihydrogen phosphate Traditional Name: [(3,4-dihydroxy-5-purin-9-yl-tetrahydrofuran-2-yl)-(6-thioxohexoxy)methyl] dihydrogen phosphate Formula: C16H23N4O8PS MolecularWeight: 462.414581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)C(OCCCCCC=S)OP(=O)(O)O)O)O

Isomeric SMILES

C1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)C(OCCCCCC=S)OP(=O)(O)O)O)O

InChI

InChI=1S/C16H23N4O8PS/c21-11-12(22)15(20-9-19-10-7-17-8-18-14(10)20)27-13(11)16(28-29(23,24)25)26-5-3-1-2-4-6-30/h6-9,11-13,15-16,21-22H,1-5H2,(H2,23,24,25)