2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethoxymethyl-[(2Z)-2-(3,4-dimethoxy-5-oxidanylidene-furan-2-ylidene)ethoxy]phosphinic acid

Systemtic Name: 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethoxymethyl-[(2Z)-2-(3,4-dimethoxy-5-oxidanylidene-furan-2-ylidene)ethoxy]phosphinic acid Openeye Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-[(2Z)-2-(3,4-dimethoxy-5-oxo-2-furylidene)ethoxy]phosphinic acid CAS Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-[(2Z)-2-(3,4-dimethoxy-5-oxo-2-furanylidene)ethoxy]phosphinic acid IUPAC Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-[(2Z)-2-(3,4-dimethoxy-5-oxofuran-2-ylidene)ethoxy]phosphinic acid Traditional Name: 2-(2-amino-6-keto-3H-purin-9-yl)ethoxymethyl-[(2Z)-2-(5-keto-3,4-dimethoxy-2-furylidene)ethoxy]phosphinic acid Formula: C16H20N5O9P MolecularWeight: 457.331861

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)OC1=CCOP(=O)(COCCN2C=NC3=C2NC(=NC3=O)N)O)OC

Isomeric SMILES

COC\1=C(C(=O)O/C1=C\COP(=O)(COCCN2C=NC3=C2NC(=NC3=O)N)O)OC

InChI

InChI=1S/C16H20N5O9P/c1-26-11-9(30-15(23)12(11)27-2)3-5-29-31(24,25)8-28-6-4-21-7-18-10-13(21)19-16(17)20-14(10)22/h3,7H,4-6,8H2,1-2H3,(H,24,25)(H3,17,19,20,22)/b9-3-