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

Systemtic Name: 5-butyl-4-oxidanyl-2-phenacylsulfanyl-1H-pyrimidin-6-one Openeye Name: 5-butyl-4-hydroxy-2-phenacylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-butyl-4-hydroxy-2-(phenacylthio)-1H-pyrimidin-6-one IUPAC Name: 5-butyl-4-hydroxy-2-phenacylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-butyl-4-hydroxy-2-(phenacylthio)-1H-pyrimidin-6-one Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-2-3-9-12-14(20)17-16(18-15(12)21)22-10-13(19)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H2,17,18,20,21)