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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-[(4-bromophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-[(4-bromophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-[(4-bromobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C19H17BrN2OS MolecularWeight: 401.32008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2OS/c1-13-17(11-14-5-3-2-4-6-14)18(23)22-19(21-13)24-12-15-7-9-16(20)10-8-15/h2-10H,11-12H2,1H3,(H,21,22,23)