2-[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]ethylphosphonic acid

Systemtic Name: 2-[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]ethylphosphonic acid Openeye Name: 2-[4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]ethylphosphonic acid CAS Name: 2-[4-(2-amino-6-oxo-3H-purin-9-yl)-1-cyclopent-2-enyl]ethylphosphonic acid IUPAC Name: 2-[4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]ethylphosphonic acid Traditional Name: 2-[4-(2-amino-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]ethylphosphonic acid Formula: C12H16N5O4P MolecularWeight: 325.260301

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1N2C=NC3=C2NC(=NC3=O)N)CCP(=O)(O)O

Isomeric SMILES

C1C(C=CC1N2C=NC3=C2NC(=NC3=O)N)CCP(=O)(O)O

InChI

InChI=1S/C12H16N5O4P/c13-12-15-10-9(11(18)16-12)14-6-17(10)8-2-1-7(5-8)3-4-22(19,20)21/h1-2,6-8H,3-5H2,(H2,19,20,21)(H3,13,15,16,18)