4-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)but-2-ynoxymethylphosphonic acid

Systemtic Name: 4-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)but-2-ynoxymethylphosphonic acid Openeye Name: 4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)but-2-ynoxymethylphosphonic acid CAS Name: 4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)but-2-ynoxymethylphosphonic acid IUPAC Name: 4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)but-2-ynoxymethylphosphonic acid Traditional Name: 4-(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)but-2-ynoxymethylphosphonic acid Formula: C10H14N5O5P MolecularWeight: 315.222421

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CC#CCOCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1CC#CCOCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H14N5O5P/c11-10-13-8-7(9(16)14-10)12-5-15(8)3-1-2-4-20-6-21(17,18)19/h12H,3-6H2,(H2,17,18,19)(H3,11,13,14,16)