[(1S,4R)-4-(6-azanyl-4,5-dihydropurin-9-yl)-1-ethynyl-cyclopent-2-en-1-yl]oxymethylphosphonic acid

Systemtic Name: [(1S,4R)-4-(6-azanyl-4,5-dihydropurin-9-yl)-1-ethynyl-cyclopent-2-en-1-yl]oxymethylphosphonic acid Openeye Name: [(1S,4R)-4-(6-amino-4,5-dihydropurin-9-yl)-1-ethynyl-cyclopent-2-en-1-yl]oxymethylphosphonic acid CAS Name: [(1S,4R)-4-(6-amino-4,5-dihydropurin-9-yl)-1-ethynyl-1-cyclopent-2-enyl]oxymethylphosphonic acid IUPAC Name: [(1S,4R)-4-(6-amino-4,5-dihydropurin-9-yl)-1-ethynylcyclopent-2-en-1-yl]oxymethylphosphonic acid Traditional Name: [(1S,4R)-4-(6-amino-4,5-dihydropurin-9-yl)-1-ethynyl-cyclopent-2-en-1-yl]oxymethylphosphonic acid Formula: C13H16N5O4P MolecularWeight: 337.271001

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CC(C=C1)N2C=NC3C2N=CN=C3N)OCP(=O)(O)O

Isomeric SMILES

C#C[C@@]1(C[C@H](C=C1)N2C=NC3C2N=CN=C3N)OCP(=O)(O)O

InChI

InChI=1S/C13H16N5O4P/c1-2-13(22-8-23(19,20)21)4-3-9(5-13)18-7-17-10-11(14)15-6-16-12(10)18/h1,3-4,6-7,9-10,12H,5,8H2,(H2,14,15,16)(H2,19,20,21)/t9-,10?,12?,13+/m0/s1