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

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-methyl-pyrimidine Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-methyl-pyrimidine CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-(4-ethylsulfonyl-1-piperazinyl)-6-(methoxymethyl)-2-methylpyrimidine IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-methylpyrimidine Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-4-(4-esylpiperazino)-6-(methoxymethyl)-2-methyl-pyrimidine Formula: C20H26ClFN4O3S MolecularWeight: 456.961843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClFN4O3S/c1-4-30(27,28)26-10-8-25(9-11-26)20-16(19(13-29-3)23-14(2)24-20)12-15-17(21)6-5-7-18(15)22/h5-7H,4,8-13H2,1-3H3