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

Systemtic Name: [5-(6-azanyl-2-propylsulfanyl-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(6-amino-2-propylsulfanyl-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-[6-amino-2-(propylthio)-9-purinyl]-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(6-amino-2-propylsulfanylpurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-[6-amino-2-(propylthio)purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C13H21N5O9P2S MolecularWeight: 485.346462

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)N)N=CN2C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)N)N=CN2C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C13H21N5O9P2S/c1-2-3-30-13-16-11(14)10-12(17-13)18(6-15-10)9-4-7(27-29(22,23)24)8(26-9)5-25-28(19,20)21/h6-9H,2-5H2,1H3,(H2,14,16,17)(H2,19,20,21)(H2,22,23,24)