[3-oxidanyl-5-[6-oxidanylidene-2-(3-sulfanylpropylamino)-3H-purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [3-oxidanyl-5-[6-oxidanylidene-2-(3-sulfanylpropylamino)-3H-purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [3-hydroxy-5-[6-oxo-2-(3-sulfanylpropylamino)-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [3-hydroxy-5-[2-(3-mercaptopropylamino)-6-oxo-3H-purin-9-yl]-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [3-hydroxy-5-[6-oxo-2-(3-sulfanylpropylamino)-3H-purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [3-hydroxy-5-[6-keto-2-(3-mercaptopropylamino)-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C13H20N5O7PS MolecularWeight: 421.365961

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)NCCCS)COP(=O)(O)O)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)NCCCS)COP(=O)(O)O)O

InChI

InChI=1S/C13H20N5O7PS/c19-7-4-9(25-8(7)5-24-26(21,22)23)18-6-15-10-11(18)16-13(17-12(10)20)14-2-1-3-27/h6-9,19,27H,1-5H2,(H2,21,22,23)(H2,14,16,17,20)