2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxidanyl-5-pentyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxidanyl-5-pentyl-1H-pyrimidin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-hydroxy-5-pentyl-1H-pyrimidin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-4-hydroxy-5-pentyl-1H-pyrimidin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-hydroxy-5-pentyl-1H-pyrimidin-6-one Traditional Name: 5-amyl-2-[(3,4-dichlorobenzyl)thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C16H18Cl2N2O2S MolecularWeight: 373.29732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=C(NC1=O)SCC2=CC(=C(C=C2)Cl)Cl)O

Isomeric SMILES

CCCCCC1=C(N=C(NC1=O)SCC2=CC(=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C16H18Cl2N2O2S/c1-2-3-4-5-11-14(21)19-16(20-15(11)22)23-9-10-6-7-12(17)13(18)8-10/h6-8H,2-5,9H2,1H3,(H2,19,20,21,22)