2-[(4-bromophenyl)methylsulfanyl]-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[(4-bromophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(4-bromophenyl)methylthio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[(4-bromophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[(4-bromobenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C19H16BrN2OS- MolecularWeight: 400.31214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)Br)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)Br)[O-])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)/p-1