[(2S)-3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]but-3-en-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2S)-3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]but-3-en-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-1-methyl-allyloxy]methylphosphonic acid CAS Name: [(2S)-3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]but-3-en-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]but-3-en-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-1-methyl-allyloxy]methylphosphonic acid Formula: C11H16N5O5P MolecularWeight: 329.249001

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C)CN1C=NC2=C1NC(=NC2=O)N)OCP(=O)(O)O

Isomeric SMILES

C[C@@H](C(=C)CN1C=NC2=C1NC(=NC2=O)N)OCP(=O)(O)O

InChI

InChI=1S/C11H16N5O5P/c1-6(7(2)21-5-22(18,19)20)3-16-4-13-8-9(16)14-11(12)15-10(8)17/h4,7H,1,3,5H2,2H3,(H2,18,19,20)(H3,12,14,15,17)/t7-/m0/s1