(4-tert-butylphenyl)-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(4,6-dimethylpyrimidin-2-yl)piperazino]methanone Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C21H28N4O/c1-15-14-16(2)23-20(22-15)25-12-10-24(11-13-25)19(26)17-6-8-18(9-7-17)21(3,4)5/h6-9,14H,10-13H2,1-5H3