[(Z)-4-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)but-2-enoxy]methyl-ethoxy-phosphinic acid

Systemtic Name: [(Z)-4-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)but-2-enoxy]methyl-ethoxy-phosphinic acid Openeye Name: [(Z)-4-(4-benzamido-2-oxo-pyrimidin-1-yl)but-2-enoxy]methyl-ethoxy-phosphinic acid CAS Name: [(Z)-4-(4-benzamido-2-oxo-1-pyrimidinyl)but-2-enoxy]methyl-ethoxyphosphinic acid IUPAC Name: [(Z)-4-(4-benzamido-2-oxopyrimidin-1-yl)but-2-enoxy]methyl-ethoxyphosphinic acid Traditional Name: [(Z)-4-(4-benzamido-2-keto-pyrimidin-1-yl)but-2-enoxy]methyl-ethoxy-phosphinic acid Formula: C18H22N3O6P MolecularWeight: 407.357541

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COCC=CCN1C=CC(=NC1=O)NC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCOP(=O)(COC/C=C\CN1C=CC(=NC1=O)NC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C18H22N3O6P/c1-2-27-28(24,25)14-26-13-7-6-11-21-12-10-16(20-18(21)23)19-17(22)15-8-4-3-5-9-15/h3-10,12H,2,11,13-14H2,1H3,(H,24,25)(H,19,20,22,23)/b7-6-