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

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-phenyl-pyrimidine Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-phenyl-pyrimidine CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-(4-ethylsulfonyl-1-piperazinyl)-6-(methoxymethyl)-2-phenylpyrimidine IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-phenylpyrimidine Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-4-(4-esylpiperazino)-6-(methoxymethyl)-2-phenyl-pyrimidine Formula: C25H28ClFN4O3S MolecularWeight: 519.031223

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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)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC=C3Cl)F)COC)C4=CC=CC=C4

InChI

InChI=1S/C25H28ClFN4O3S/c1-3-35(32,33)31-14-12-30(13-15-31)25-20(16-19-21(26)10-7-11-22(19)27)23(17-34-2)28-24(29-25)18-8-5-4-6-9-18/h4-11H,3,12-17H2,1-2H3