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

Systemtic Name: 3-[(1S,4R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]oxypropoxymethyl-ethoxy-phosphinic acid Openeye Name: 3-[(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]oxypropoxymethyl-ethoxy-phosphinic acid CAS Name: 3-[[(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)-1-cyclopent-2-enyl]oxy]propoxymethyl-ethoxyphosphinic acid IUPAC Name: 3-[(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]oxypropoxymethyl-ethoxyphosphinic acid Traditional Name: 3-[(1S,4R)-4-(2-amino-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]oxypropoxymethyl-ethoxy-phosphinic acid Formula: C16H24N5O6P MolecularWeight: 413.365421

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COCCCOC1CC(C=C1)N2C=NC3=C2NC(=NC3=O)N)O

Isomeric SMILES

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

InChI

InChI=1S/C16H24N5O6P/c1-2-27-28(23,24)10-25-6-3-7-26-12-5-4-11(8-12)21-9-18-13-14(21)19-16(17)20-15(13)22/h4-5,9,11-12H,2-3,6-8,10H2,1H3,(H,23,24)(H3,17,19,20,22)/t11-,12+/m0/s1