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

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[(2Z)-2-(3,4-dimethoxy-5-oxidanylidene-furan-2-ylidene)ethoxy]phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[(2Z)-2-(3,4-dimethoxy-5-oxo-2-furylidene)ethoxy]phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[(2Z)-2-(3,4-dimethoxy-5-oxo-2-furanylidene)ethoxy]phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[(2Z)-2-(3,4-dimethoxy-5-oxofuran-2-ylidene)ethoxy]phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl-[(2Z)-2-(5-keto-3,4-dimethoxy-2-furylidene)ethoxy]phosphinic acid Formula: C16H20N5O8P MolecularWeight: 441.332461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)OC1=CCOP(=O)(COCCN2C=NC3=C2N=CN=C3N)O)OC

Isomeric SMILES

COC\1=C(C(=O)O/C1=C\COP(=O)(COCCN2C=NC3=C2N=CN=C3N)O)OC

InChI

InChI=1S/C16H20N5O8P/c1-25-12-10(29-16(22)13(12)26-2)3-5-28-30(23,24)9-27-6-4-21-8-20-11-14(17)18-7-19-15(11)21/h3,7-8H,4-6,9H2,1-2H3,(H,23,24)(H2,17,18,19)/b10-3-