2-[2,6-bis(azanyl)pyrimidin-4-yl]sulfanylethoxymethylphosphonic acid

Systemtic Name: 2-[2,6-bis(azanyl)pyrimidin-4-yl]sulfanylethoxymethylphosphonic acid Openeye Name: 2-(2,6-diaminopyrimidin-4-yl)sulfanylethoxymethylphosphonic acid CAS Name: 2-[(2,6-diamino-4-pyrimidinyl)thio]ethoxymethylphosphonic acid IUPAC Name: 2-(2,6-diaminopyrimidin-4-yl)sulfanylethoxymethylphosphonic acid Traditional Name: 2-[(2,6-diaminopyrimidin-4-yl)thio]ethoxymethylphosphonic acid Formula: C7H13N4O4PS MolecularWeight: 280.241281

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(N=C1SCCOCP(=O)(O)O)N)N

Isomeric SMILES

C1=C(N=C(N=C1SCCOCP(=O)(O)O)N)N

InChI

InChI=1S/C7H13N4O4PS/c8-5-3-6(11-7(9)10-5)17-2-1-15-4-16(12,13)14/h3H,1-2,4H2,(H2,12,13,14)(H4,8,9,10,11)