4-butyl-5-methyl-2-[6-methyl-2-(phenylmethyl)pyrimidin-4-yl]-1H-pyrazol-3-one

Systemtic Name: 4-butyl-5-methyl-2-[6-methyl-2-(phenylmethyl)pyrimidin-4-yl]-1H-pyrazol-3-one Openeye Name: 2-(2-benzyl-6-methyl-pyrimidin-4-yl)-4-butyl-5-methyl-1H-pyrazol-3-one CAS Name: 4-butyl-5-methyl-2-[6-methyl-2-(phenylmethyl)-4-pyrimidinyl]-1H-pyrazol-3-one IUPAC Name: 2-(2-benzyl-6-methylpyrimidin-4-yl)-4-butyl-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(2-benzyl-6-methyl-pyrimidin-4-yl)-4-butyl-5-methyl-3-pyrazolin-3-one Formula: C20H24N4O MolecularWeight: 336.43076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NN(C1=O)C2=NC(=NC(=C2)C)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCC1=C(NN(C1=O)C2=NC(=NC(=C2)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H24N4O/c1-4-5-11-17-15(3)23-24(20(17)25)19-12-14(2)21-18(22-19)13-16-9-7-6-8-10-16/h6-10,12,23H,4-5,11,13H2,1-3H3