3-[(1S,4R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]oxypropoxymethylphosphonic acid

Systemtic Name: 3-[(1S,4R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]oxypropoxymethylphosphonic acid Openeye Name: 3-[(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]oxypropoxymethylphosphonic acid CAS Name: 3-[[(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)-1-cyclopent-2-enyl]oxy]propoxymethylphosphonic acid IUPAC Name: 3-[(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]oxypropoxymethylphosphonic acid Traditional Name: 3-[(1S,4R)-4-(2-amino-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]oxypropoxymethylphosphonic acid Formula: C14H20N5O6P MolecularWeight: 385.312261

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1OCCCOCP(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1[C@H](C=C[C@H]1OCCCOCP(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C14H20N5O6P/c15-14-17-12-11(13(20)18-14)16-7-19(12)9-2-3-10(6-9)25-5-1-4-24-8-26(21,22)23/h2-3,7,9-10H,1,4-6,8H2,(H2,21,22,23)(H3,15,17,18,20)/t9-,10+/m0/s1