1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[5-(2,5-dimethylbenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazino]propan-1-one Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC(=C3)C)C)C)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC(=C3)C)C)C)C

InChI

InChI=1S/C22H30N4O/c1-6-21(27)25-9-11-26(12-10-25)22-20(17(4)23-18(5)24-22)14-19-13-15(2)7-8-16(19)3/h7-8,13H,6,9-12,14H2,1-5H3