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

Systemtic Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(1-naphthylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(1-naphthalenylsulfonyl)-1-piperazinyl]pyrimidine IUPAC Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(1-naphthylsulfonyl)piperazino]pyrimidine Formula: C27H27FN4O2S MolecularWeight: 490.592283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)C5=CC(=CC=C5)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)C5=CC(=CC=C5)F)C

InChI

InChI=1S/C27H27FN4O2S/c1-3-23-19(2)29-26(21-10-6-11-22(28)18-21)30-27(23)31-14-16-32(17-15-31)35(33,34)25-13-7-9-20-8-4-5-12-24(20)25/h4-13,18H,3,14-17H2,1-2H3