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

Systemtic Name: [(Z)-4-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)but-2-enoxy]methylphosphonic acid Openeye Name: [(Z)-4-(4-benzamido-2-oxo-pyrimidin-1-yl)but-2-enoxy]methylphosphonic acid CAS Name: [(Z)-4-(4-benzamido-2-oxo-1-pyrimidinyl)but-2-enoxy]methylphosphonic acid IUPAC Name: [(Z)-4-(4-benzamido-2-oxopyrimidin-1-yl)but-2-enoxy]methylphosphonic acid Traditional Name: [(Z)-4-(4-benzamido-2-keto-pyrimidin-1-yl)but-2-enoxy]methylphosphonic acid Formula: C16H18N3O6P MolecularWeight: 379.304381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)CC=CCOCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)C/C=C\COCP(=O)(O)O

InChI

InChI=1S/C16H18N3O6P/c20-15(13-6-2-1-3-7-13)17-14-8-10-19(16(21)18-14)9-4-5-11-25-12-26(22,23)24/h1-8,10H,9,11-12H2,(H2,22,23,24)(H,17,18,20,21)/b5-4-