(3-bromophenyl)-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (3-bromophenyl)-[4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-bromophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]methanone Formula: C20H25BrN4O MolecularWeight: 417.3427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN4O/c1-13(2)18-14(3)22-15(4)23-19(18)24-8-10-25(11-9-24)20(26)16-6-5-7-17(21)12-16/h5-7,12-13H,8-11H2,1-4H3