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

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

Systemtic Name:2-[2,4-bis(azanyl)-5-(cyanomethyl)-6-oxidanylidene-pyrimidin-1-yl]ethoxymethylphosphonic acid
Openeye Name:2-[2,4-diamino-5-(cyanomethyl)-6-oxo-pyrimidin-1-yl]ethoxymethylphosphonic acid
CAS Name:2-[2,4-diamino-5-(cyanomethyl)-6-oxo-1-pyrimidinyl]ethoxymethylphosphonic acid
IUPAC Name:2-[2,4-diamino-5-(cyanomethyl)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid
Traditional Name:2-[2,4-diamino-5-(cyanomethyl)-6-keto-pyrimidin-1-yl]ethoxymethylphosphonic acid
Formula: C9H14N5O5P
MolecularWeight: 303.211721
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Descriptors Computed from Structure

Canonical SMILES:

C(COCP(=O)(O)O)N1C(=O)C(=C(N=C1N)N)CC#N


Isomeric SMILES

C(COCP(=O)(O)O)N1C(=O)C(=C(N=C1N)N)CC#N


InChI

InChI=1S/C9H14N5O5P/c10-2-1-6-7(11)13-9(12)14(8(6)15)3-4-19-5-20(16,17)18/h1,3-5,11H2,(H2,12,13)(H2,16,17,18)


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