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

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2,4-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-2,4-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-2,4-dimethyl-6-(4-methylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-2,4-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-4-(4-mesylpiperazino)-2,6-dimethyl-pyrimidine Formula: C18H22ClFN4O2S MolecularWeight: 412.909283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C)CC3=C(C=CC=C3Cl)F

InChI

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