4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidine CAS Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidine Traditional Name: 4-(4-benzylsulfonylpiperazino)-6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidine Formula: C25H29FN4O2S MolecularWeight: 468.586763

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H29FN4O2S/c1-3-24-23(17-21-10-7-11-22(26)16-21)25(28-19(2)27-24)29-12-14-30(15-13-29)33(31,32)18-20-8-5-4-6-9-20/h4-11,16H,3,12-15,17-18H2,1-2H3