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

Systemtic Name: 6-[[2,6-bis(chloranyl)phenyl]methyl]-5-ethyl-2-phenacylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[(2,6-dichlorophenyl)methyl]-5-ethyl-2-phenacylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[(2,6-dichlorophenyl)methyl]-5-ethyl-2-(phenacylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[(2,6-dichlorophenyl)methyl]-5-ethyl-2-phenacylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-(2,6-dichlorobenzyl)-5-ethyl-2-(phenacylthio)-1H-pyrimidin-4-one Formula: C21H18Cl2N2O2S MolecularWeight: 433.35082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O2S/c1-2-14-18(11-15-16(22)9-6-10-17(15)23)24-21(25-20(14)27)28-12-19(26)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,24,25,27)