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

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(methoxymethyl)-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-4-(methoxymethyl)-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-(methoxymethyl)-2-phenyl-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-(methoxymethyl)-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-4-(methoxymethyl)-2-phenyl-6-(4-propylsulfonylpiperazino)pyrimidine Formula: C26H30ClFN4O3S MolecularWeight: 533.057803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClFN4O3S/c1-3-16-36(33,34)32-14-12-31(13-15-32)26-21(17-20-22(27)10-7-11-23(20)28)24(18-35-2)29-25(30-26)19-8-5-4-6-9-19/h4-11H,3,12-18H2,1-2H3