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

Systemtic Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(2-naphthylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]pyrimidine IUPAC Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(2-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=CC4=CC=CC=C4C=C3)C5=CC(=CC=C5)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CC(=CC=C5)F)C

InChI

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