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

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-methylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-4-(4-mesylpiperazino)-6-(methoxymethyl)-2-methyl-pyrimidine Formula: C19H24ClFN4O3S MolecularWeight: 442.935263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClFN4O3S/c1-13-22-18(12-28-2)15(11-14-16(20)5-4-6-17(14)21)19(23-13)24-7-9-25(10-8-24)29(3,26)27/h4-6H,7-12H2,1-3H3