5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-pyrimidine

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-pyrimidine Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-pyrimidine CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-6-(4-ethylsulfonyl-1-piperazinyl)-2-methylpyrimidine IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-4-(4-esylpiperazino)-6-ethyl-2-methyl-pyrimidine Formula: C20H26ClFN4O2S MolecularWeight: 440.962443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)CC)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)CC)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H26ClFN4O2S/c1-4-19-16(13-15-17(21)7-6-8-18(15)22)20(24-14(3)23-19)25-9-11-26(12-10-25)29(27,28)5-2/h6-8H,4-5,9-13H2,1-3H3