3-methyl-1-[4-[2-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[2-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[2-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[2-methyl-6-(4-methylphenoxy)-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[2-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[2-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]piperazino]butan-1-one Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)C(=O)CC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)C(=O)CC(C)C)C

InChI

InChI=1S/C21H28N4O2/c1-15(2)13-21(26)25-11-9-24(10-12-25)19-14-20(23-17(4)22-19)27-18-7-5-16(3)6-8-18/h5-8,14-15H,9-13H2,1-4H3