2-[(4-bromophenyl)methylsulfanyl]-3,6-dimethyl-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-3,6-dimethyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-[(4-bromophenyl)methylsulfanyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-3,6-dimethyl-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[(4-bromophenyl)methylsulfanyl]-3,6-dimethylpyrimidin-4-one Traditional Name: 5-benzyl-2-[(4-bromobenzyl)thio]-3,6-dimethyl-pyrimidin-4-one Formula: C20H19BrN2OS MolecularWeight: 415.34666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2OS/c1-14-18(12-15-6-4-3-5-7-15)19(24)23(2)20(22-14)25-13-16-8-10-17(21)11-9-16/h3-11H,12-13H2,1-2H3