[(Z)-4-[2,4-bis(oxidanylidene)-6-phenylsulfanyl-pyrimidin-1-yl]but-2-enyl]phosphonic acid

Systemtic Name: [(Z)-4-[2,4-bis(oxidanylidene)-6-phenylsulfanyl-pyrimidin-1-yl]but-2-enyl]phosphonic acid Openeye Name: [(Z)-4-(2,4-dioxo-6-phenylsulfanyl-pyrimidin-1-yl)but-2-enyl]phosphonic acid CAS Name: [(Z)-4-[2,4-dioxo-6-(phenylthio)-1-pyrimidinyl]but-2-enyl]phosphonic acid IUPAC Name: [(Z)-4-(2,4-dioxo-6-phenylsulfanylpyrimidin-1-yl)but-2-enyl]phosphonic acid Traditional Name: [(Z)-4-[2,4-diketo-6-(phenylthio)pyrimidin-1-yl]but-2-enyl]phosphonic acid Formula: C14H15N2O5PS MolecularWeight: 354.318061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC(=O)NC(=O)N2CC=CCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC(=O)NC(=O)N2C/C=C\CP(=O)(O)O

InChI

InChI=1S/C14H15N2O5PS/c17-12-10-13(23-11-6-2-1-3-7-11)16(14(18)15-12)8-4-5-9-22(19,20)21/h1-7,10H,8-9H2,(H,15,17,18)(H2,19,20,21)/b5-4-