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

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-ethyl-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-4-ethyl-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-2-methyl-6-(4-methylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-4-ethyl-6-(4-mesylpiperazino)-2-methyl-pyrimidine Formula: C19H24ClFN4O2S MolecularWeight: 426.935863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClFN4O2S/c1-4-18-15(12-14-16(20)6-5-7-17(14)21)19(23-13(2)22-18)24-8-10-25(11-9-24)28(3,26)27/h5-7H,4,8-12H2,1-3H3