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

Systemtic Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(2-naphthylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-ethyl-5-(3-fluorobenzyl)-2-methyl-6-[4-(2-naphthylsulfonyl)piperazino]pyrimidine Formula: C28H29FN4O2S MolecularWeight: 504.618863

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC(=CC=C5)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC(=CC=C5)F

InChI

InChI=1S/C28H29FN4O2S/c1-3-27-26(18-21-7-6-10-24(29)17-21)28(31-20(2)30-27)32-13-15-33(16-14-32)36(34,35)25-12-11-22-8-4-5-9-23(22)19-25/h4-12,17,19H,3,13-16,18H2,1-2H3