(2S)-2-(4-bromanylphenoxy)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-2-(4-bromophenoxy)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: (2S)-2-(4-bromophenoxy)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(4-bromophenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: (2S)-2-(4-bromophenoxy)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]propan-1-one Formula: C21H27BrN4O2 MolecularWeight: 447.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)[C@H](C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H27BrN4O2/c1-14(2)20-23-15(3)13-19(24-20)25-9-11-26(12-10-25)21(27)16(4)28-18-7-5-17(22)6-8-18/h5-8,13-14,16H,9-12H2,1-4H3/t16-/m0/s1