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

Systemtic Name: 3-[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]oxypentan-3-ylphosphonic acid Openeye Name: [1-[4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]oxy-1-ethyl-propyl]phosphonic acid CAS Name: 3-[[4-(2-amino-6-oxo-3H-purin-9-yl)-1-cyclopent-2-enyl]oxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]oxypentan-3-ylphosphonic acid Traditional Name: [1-[4-(2-amino-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]oxy-1-ethyl-propyl]phosphonic acid Formula: C15H22N5O5P MolecularWeight: 383.339441

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC1CC(C=C1)N2C=NC3=C2NC(=NC3=O)N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OC1CC(C=C1)N2C=NC3=C2NC(=NC3=O)N)P(=O)(O)O

InChI

InChI=1S/C15H22N5O5P/c1-3-15(4-2,26(22,23)24)25-10-6-5-9(7-10)20-8-17-11-12(20)18-14(16)19-13(11)21/h5-6,8-10H,3-4,7H2,1-2H3,(H2,22,23,24)(H3,16,18,19,21)