6-[[2,6-bis(chloranyl)phenyl]methyl]-2-butylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[2,6-bis(chloranyl)phenyl]methyl]-2-butylsulfanyl-1H-pyrimidin-4-one Openeye Name: 2-butylsulfanyl-6-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-4-one CAS Name: 2-(butylthio)-6-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-butylsulfanyl-6-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-(butylthio)-6-(2,6-dichlorobenzyl)-1H-pyrimidin-4-one Formula: C15H16Cl2N2OS MolecularWeight: 343.27134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C=C(N1)CC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCCCSC1=NC(=O)C=C(N1)CC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C15H16Cl2N2OS/c1-2-3-7-21-15-18-10(9-14(20)19-15)8-11-12(16)5-4-6-13(11)17/h4-6,9H,2-3,7-8H2,1H3,(H,18,19,20)