1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]-3-methyl-butan-1-one Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CC(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CC(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O/c1-16(2)14-21(27)25-10-12-26(13-11-25)22-20(17(3)23-18(4)24-22)15-19-8-6-5-7-9-19/h5-9,16H,10-15H2,1-4H3