2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2,4-dichlorophenyl)methylthio]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-[(2,4-dichlorobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C19H16Cl2N2OS MolecularWeight: 391.31414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=C(C=C(C=C2)Cl)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=C(C=C(C=C2)Cl)Cl)CC3=CC=CC=C3

InChI

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