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

Systemtic Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(1-naphthylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(1-naphthalenylsulfonyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-ethyl-5-(3-fluorobenzyl)-2-methyl-6-[4-(1-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=CC=CC4=CC=CC=C43)CC5=CC(=CC=C5)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)CC5=CC(=CC=C5)F

InChI

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