[(E)-3-[2,4-bis(oxidanylidene)-5-phenylsulfanyl-pyrimidin-1-yl]prop-1-enyl]phosphonic acid

Systemtic Name: [(E)-3-[2,4-bis(oxidanylidene)-5-phenylsulfanyl-pyrimidin-1-yl]prop-1-enyl]phosphonic acid Openeye Name: [(E)-3-(2,4-dioxo-5-phenylsulfanyl-pyrimidin-1-yl)prop-1-enyl]phosphonic acid CAS Name: [(E)-3-[2,4-dioxo-5-(phenylthio)-1-pyrimidinyl]prop-1-enyl]phosphonic acid IUPAC Name: [(E)-3-(2,4-dioxo-5-phenylsulfanylpyrimidin-1-yl)prop-1-enyl]phosphonic acid Traditional Name: [(E)-3-[2,4-diketo-5-(phenylthio)pyrimidin-1-yl]prop-1-enyl]phosphonic acid Formula: C13H13N2O5PS MolecularWeight: 340.291481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CN(C(=O)NC2=O)CC=CP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CN(C(=O)NC2=O)C/C=C/P(=O)(O)O

InChI

InChI=1S/C13H13N2O5PS/c16-12-11(22-10-5-2-1-3-6-10)9-15(13(17)14-12)7-4-8-21(18,19)20/h1-6,8-9H,7H2,(H,14,16,17)(H2,18,19,20)/b8-4+