2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethoxymethylphosphonic acid

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethoxymethylphosphonic acid Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethoxymethylphosphonic acid CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]ethoxymethylphosphonic acid IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethoxymethylphosphonic acid Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]ethoxymethylphosphonic acid Formula: C7H12N3O5PS MolecularWeight: 281.226041

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=NC1=O)SCCOCP(=O)(O)O)N

Isomeric SMILES

C1=C(NC(=NC1=O)SCCOCP(=O)(O)O)N

InChI

InChI=1S/C7H12N3O5PS/c8-5-3-6(11)10-7(9-5)17-2-1-15-4-16(12,13)14/h3H,1-2,4H2,(H2,12,13,14)(H3,8,9,10,11)