4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)but-2-ynoxymethylphosphonic acid

Systemtic Name: 4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)but-2-ynoxymethylphosphonic acid Openeye Name: 4-(4-amino-2-oxo-pyrimidin-1-yl)but-2-ynoxymethylphosphonic acid CAS Name: 4-(4-amino-2-oxo-1-pyrimidinyl)but-2-ynoxymethylphosphonic acid IUPAC Name: 4-(4-amino-2-oxopyrimidin-1-yl)but-2-ynoxymethylphosphonic acid Traditional Name: 4-(4-amino-2-keto-pyrimidin-1-yl)but-2-ynoxymethylphosphonic acid Formula: C9H12N3O5P MolecularWeight: 273.182441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N3O5P/c10-8-3-5-12(9(13)11-8)4-1-2-6-17-7-18(14,15)16/h3,5H,4,6-7H2,(H2,10,11,13)(H2,14,15,16)