2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[[(phenylmethyl)amino]methylidene]pyrazol-3-one

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[[(phenylmethyl)amino]methylidene]pyrazol-3-one Openeye Name: 4-[(benzylamino)methylene]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-one CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-4-[[(phenylmethyl)amino]methylidene]-3-pyrazolone IUPAC Name: 4-[(benzylamino)methylidene]-2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-one Traditional Name: 4-[(benzylamino)methylene]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-2-pyrazolin-3-one Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)C(=CNCC3=CC=CC=C3)C(=N2)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)C(=CNCC3=CC=CC=C3)C(=N2)C)C

InChI

InChI=1S/C18H19N5O/c1-12-9-13(2)21-18(20-12)23-17(24)16(14(3)22-23)11-19-10-15-7-5-4-6-8-15/h4-9,11,19H,10H2,1-3H3