2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]but-3-enylphosphonic acid

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]but-3-enylphosphonic acid Openeye Name: 2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]but-3-enylphosphonic acid CAS Name: 2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]but-3-enylphosphonic acid IUPAC Name: 2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]but-3-enylphosphonic acid Traditional Name: 2-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methyl]but-3-enylphosphonic acid Formula: C10H16N5O4P MolecularWeight: 301.238901

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CN1CNC2=C1NC(=NC2=O)N)CP(=O)(O)O

Isomeric SMILES

C=CC(CN1CNC2=C1NC(=NC2=O)N)CP(=O)(O)O

InChI

InChI=1S/C10H16N5O4P/c1-2-6(4-20(17,18)19)3-15-5-12-7-8(15)13-10(11)14-9(7)16/h2,6,12H,1,3-5H2,(H2,17,18,19)(H3,11,13,14,16)