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

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

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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@H](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/h4-8,15H,9H2,1-3H3/t15-/m0/s1