3-[2,6-bis(azanyl)pyrimidin-4-yl]prop-2-ynoxymethylphosphonic acid

Systemtic Name: 3-[2,6-bis(azanyl)pyrimidin-4-yl]prop-2-ynoxymethylphosphonic acid Openeye Name: 3-(2,6-diaminopyrimidin-4-yl)prop-2-ynoxymethylphosphonic acid CAS Name: 3-(2,6-diamino-4-pyrimidinyl)prop-2-ynoxymethylphosphonic acid IUPAC Name: 3-(2,6-diaminopyrimidin-4-yl)prop-2-ynoxymethylphosphonic acid Traditional Name: 3-(2,6-diaminopyrimidin-4-yl)prop-2-ynoxymethylphosphonic acid Formula: C8H11N4O4P MolecularWeight: 258.171101

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(N=C1N)N)C#CCOCP(=O)(O)O

Isomeric SMILES

C1=C(N=C(N=C1N)N)C#CCOCP(=O)(O)O

InChI

InChI=1S/C8H11N4O4P/c9-7-4-6(11-8(10)12-7)2-1-3-16-5-17(13,14)15/h4H,3,5H2,(H2,13,14,15)(H4,9,10,11,12)