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

Systemtic Name: 6-[[2,6-bis(chloranyl)phenyl]methyl]-5-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one CAS Name: 6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-(2,6-dichlorobenzyl)-5-methyl-1H-pyrimidin-4-one Formula: C19H16Cl2N2OS MolecularWeight: 391.31414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=CC=C2)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=CC=C2)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C19H16Cl2N2OS/c1-12-17(10-14-15(20)8-5-9-16(14)21)22-19(23-18(12)24)25-11-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,22,23,24)