4-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine

Systemtic Name: 4-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine Openeye Name: 4-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]-2-isopropyl-6-methyl-pyrimidine CAS Name: 4-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-6-methyl-2-propan-2-ylpyrimidine IUPAC Name: 4-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine Traditional Name: 4-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]-2-isopropyl-6-methyl-pyrimidine Formula: C19H25BrN4O2S MolecularWeight: 453.3964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN4O2S/c1-13(2)19-21-15(4)12-18(22-19)23-7-9-24(10-8-23)27(25,26)16-5-6-17(20)14(3)11-16/h5-6,11-13H,7-10H2,1-4H3