1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]pentan-1-one

Systemtic Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]pentan-1-one Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pentan-1-one Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]pentan-1-one Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-4-5-11-21(27)25-12-14-26(15-13-25)22-20(17(2)23-18(3)24-22)16-19-9-7-6-8-10-19/h6-10H,4-5,11-16H2,1-3H3