2-[2,4-bis(azanyl)-6-oxidanylidene-5-phenyl-pyrimidin-1-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2,4-bis(azanyl)-6-oxidanylidene-5-phenyl-pyrimidin-1-yl]ethoxymethylphosphonic acid Openeye Name: 2-(2,4-diamino-6-oxo-5-phenyl-pyrimidin-1-yl)ethoxymethylphosphonic acid CAS Name: 2-(2,4-diamino-6-oxo-5-phenyl-1-pyrimidinyl)ethoxymethylphosphonic acid IUPAC Name: 2-(2,4-diamino-6-oxo-5-phenylpyrimidin-1-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2,4-diamino-6-keto-5-phenyl-pyrimidin-1-yl)ethoxymethylphosphonic acid Formula: C13H17N4O5P MolecularWeight: 340.271641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N(C2=O)CCOCP(=O)(O)O)N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N(C2=O)CCOCP(=O)(O)O)N)N

InChI

InChI=1S/C13H17N4O5P/c14-11-10(9-4-2-1-3-5-9)12(18)17(13(15)16-11)6-7-22-8-23(19,20)21/h1-5H,6-8,14H2,(H2,15,16)(H2,19,20,21)