1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]butan-1-one Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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