6-[[2,6-bis(chloranyl)phenyl]methyl]-2-butan-2-ylsulfanyl-5-ethyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[2,6-bis(chloranyl)phenyl]methyl]-2-butan-2-ylsulfanyl-5-ethyl-1H-pyrimidin-4-one Openeye Name: 6-[(2,6-dichlorophenyl)methyl]-5-ethyl-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-[(2,6-dichlorophenyl)methyl]-5-ethyl-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-[(2,6-dichlorophenyl)methyl]-5-ethyl-1H-pyrimidin-4-one Traditional Name: 6-(2,6-dichlorobenzyl)-5-ethyl-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C17H20Cl2N2OS MolecularWeight: 371.3245

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC(C)CC)CC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC(C)CC)CC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C17H20Cl2N2OS/c1-4-10(3)23-17-20-15(11(5-2)16(22)21-17)9-12-13(18)7-6-8-14(12)19/h6-8,10H,4-5,9H2,1-3H3,(H,20,21,22)