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

Systemtic Name: 4-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine Openeye Name: 4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-2-isopropyl-6-methyl-pyrimidine CAS Name: 4-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-6-methyl-2-propan-2-ylpyrimidine IUPAC Name: 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine Traditional Name: 4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-2-isopropyl-6-methyl-pyrimidine Formula: C18H22ClFN4O2S MolecularWeight: 412.909283

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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)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClFN4O2S/c1-12(2)18-21-13(3)10-17(22-18)23-6-8-24(9-7-23)27(25,26)14-4-5-16(20)15(19)11-14/h4-5,10-12H,6-9H2,1-3H3