5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2,4-dimethyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2,4-dimethyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-2,4-dimethyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-2,4-dimethyl-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-2,4-dimethyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-2,4-dimethyl-6-(4-propylsulfonylpiperazino)pyrimidine Formula: C20H26ClFN4O2S MolecularWeight: 440.962443

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC=C3Cl)F)C)C

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC=C3Cl)F)C)C

InChI

InChI=1S/C20H26ClFN4O2S/c1-4-12-29(27,28)26-10-8-25(9-11-26)20-16(14(2)23-15(3)24-20)13-17-18(21)6-5-7-19(17)22/h5-7H,4,8-13H2,1-3H3