[5-[2-oxidanylidene-4-(phosphonocarbonylamino)pyrimidin-1-yl]-1,3-oxathiolan-2-yl]methoxycarbonylphosphonic acid

Systemtic Name: [5-[2-oxidanylidene-4-(phosphonocarbonylamino)pyrimidin-1-yl]-1,3-oxathiolan-2-yl]methoxycarbonylphosphonic acid Openeye Name: [5-[2-oxo-4-(phosphonocarbonylamino)pyrimidin-1-yl]-1,3-oxathiolan-2-yl]methoxycarbonylphosphonic acid CAS Name: [oxo-[[2-oxo-1-[2-[[oxo(phosphono)methoxy]methyl]-1,3-oxathiolan-5-yl]-4-pyrimidinyl]amino]methyl]phosphonic acid IUPAC Name: [5-[2-oxo-4-(phosphonocarbonylamino)pyrimidin-1-yl]-1,3-oxathiolan-2-yl]methoxycarbonylphosphonic acid Traditional Name: [5-[2-keto-4-(phosphonocarbonylamino)pyrimidin-1-yl]-1,3-oxathiolan-2-yl]methoxycarbonylphosphonic acid Formula: C10H13N3O11P2S MolecularWeight: 445.236242

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)COC(=O)P(=O)(O)O)N2C=CC(=NC2=O)NC(=O)P(=O)(O)O

Isomeric SMILES

C1C(OC(S1)COC(=O)P(=O)(O)O)N2C=CC(=NC2=O)NC(=O)P(=O)(O)O

InChI

InChI=1S/C10H13N3O11P2S/c14-8-11-5(12-9(15)25(17,18)19)1-2-13(8)6-4-27-7(24-6)3-23-10(16)26(20,21)22/h1-2,6-7H,3-4H2,(H2,17,18,19)(H2,20,21,22)(H,11,12,14,15)