[5-[2-hexylsulfanyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-[2-hexylsulfanyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-[2-hexylsulfanyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-[2-(hexylthio)-6-(methylamino)-9-purinyl]-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-[2-hexylsulfanyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-[2-(hexylthio)-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C17H29N5O9P2S MolecularWeight: 541.452782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=N1)NC)N=CN2C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=N1)NC)N=CN2C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C17H29N5O9P2S/c1-3-4-5-6-7-34-17-20-15(18-2)14-16(21-17)22(10-19-14)13-8-11(31-33(26,27)28)12(30-13)9-29-32(23,24)25/h10-13H,3-9H2,1-2H3,(H,18,20,21)(H2,23,24,25)(H2,26,27,28)