6-oxidanyl-2-phenacylsulfanyl-1-phenyl-5-prop-2-enyl-pyrimidin-4-one

Systemtic Name: 6-oxidanyl-2-phenacylsulfanyl-1-phenyl-5-prop-2-enyl-pyrimidin-4-one Openeye Name: 5-allyl-6-hydroxy-2-phenacylsulfanyl-1-phenyl-pyrimidin-4-one CAS Name: 6-hydroxy-2-(phenacylthio)-1-phenyl-5-prop-2-enyl-4-pyrimidinone IUPAC Name: 6-hydroxy-2-phenacylsulfanyl-1-phenyl-5-prop-2-enylpyrimidin-4-one Traditional Name: 5-allyl-6-hydroxy-2-(phenacylthio)-1-phenyl-pyrimidin-4-one Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

C=CCC1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H18N2O3S/c1-2-9-17-19(25)22-21(23(20(17)26)16-12-7-4-8-13-16)27-14-18(24)15-10-5-3-6-11-15/h2-8,10-13,26H,1,9,14H2