4-[(4-bromophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[(4-bromophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-[(4-bromophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-[(4-bromophenyl)methyl]-2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-[(4-bromophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-(4-bromobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-pyrazolin-3-one Formula: C17H17BrN4O MolecularWeight: 373.24708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)C(=C(N2)C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)C(=C(N2)C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C17H17BrN4O/c1-10-8-11(2)20-17(19-10)22-16(23)15(12(3)21-22)9-13-4-6-14(18)7-5-13/h4-8,21H,9H2,1-3H3