5-butyl-6-oxidanyl-2-phenacylsulfanyl-1-phenyl-pyrimidin-4-one

Systemtic Name: 5-butyl-6-oxidanyl-2-phenacylsulfanyl-1-phenyl-pyrimidin-4-one Openeye Name: 5-butyl-6-hydroxy-2-phenacylsulfanyl-1-phenyl-pyrimidin-4-one CAS Name: 5-butyl-6-hydroxy-2-(phenacylthio)-1-phenyl-4-pyrimidinone IUPAC Name: 5-butyl-6-hydroxy-2-phenacylsulfanyl-1-phenylpyrimidin-4-one Traditional Name: 5-butyl-6-hydroxy-2-(phenacylthio)-1-phenyl-pyrimidin-4-one Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H22N2O3S/c1-2-3-14-18-20(26)23-22(24(21(18)27)17-12-8-5-9-13-17)28-15-19(25)16-10-6-4-7-11-16/h4-13,27H,2-3,14-15H2,1H3