[(Z)-4-(6-benzamidopurin-9-yl)but-2-enoxy]methyl-ethoxy-phosphinic acid

Systemtic Name: [(Z)-4-(6-benzamidopurin-9-yl)but-2-enoxy]methyl-ethoxy-phosphinic acid Openeye Name: [(Z)-4-(6-benzamidopurin-9-yl)but-2-enoxy]methyl-ethoxy-phosphinic acid CAS Name: [(Z)-4-(6-benzamido-9-purinyl)but-2-enoxy]methyl-ethoxyphosphinic acid IUPAC Name: [(Z)-4-(6-benzamidopurin-9-yl)but-2-enoxy]methyl-ethoxyphosphinic acid Traditional Name: [(Z)-4-(6-benzamidopurin-9-yl)but-2-enoxy]methyl-ethoxy-phosphinic acid Formula: C19H22N5O5P MolecularWeight: 431.382241

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COCC=CCN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCOP(=O)(COC/C=C\CN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C19H22N5O5P/c1-2-29-30(26,27)14-28-11-7-6-10-24-13-22-16-17(20-12-21-18(16)24)23-19(25)15-8-4-3-5-9-15/h3-9,12-13H,2,10-11,14H2,1H3,(H,26,27)(H,20,21,23,25)/b7-6-