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

Systemtic Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidine Openeye Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidine CAS Name: 4-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidine IUPAC Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidine Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazino]-5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidine Formula: C27H33FN4O2S MolecularWeight: 496.639923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C4=CC(=CC=C4)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C27H33FN4O2S/c1-6-24-19(2)29-25(20-8-7-9-22(28)18-20)30-26(24)31-14-16-32(17-15-31)35(33,34)23-12-10-21(11-13-23)27(3,4)5/h7-13,18H,6,14-17H2,1-5H3