[5-(6-azanyl-8-methylsulfanyl-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-(6-azanyl-8-methylsulfanyl-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(6-amino-8-methylsulfanyl-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-[6-amino-8-(methylthio)-9-purinyl]-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(6-amino-8-methylsulfanylpurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-[6-amino-8-(methylthio)purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C11H17N5O9P2S MolecularWeight: 457.293302

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(N1C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O)N=CN=C2N

Isomeric SMILES

CSC1=NC2=C(N1C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O)N=CN=C2N

InChI

InChI=1S/C11H17N5O9P2S/c1-28-11-15-8-9(12)13-4-14-10(8)16(11)7-2-5(25-27(20,21)22)6(24-7)3-23-26(17,18)19/h4-7H,2-3H2,1H3,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)