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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)CC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)CC4=CC(=CC=C4)F

InChI

InChI=1S/C27H33FN4O2S/c1-19-25(18-21-7-6-8-23(28)17-21)26(30-20(2)29-19)31-13-15-32(16-14-31)35(33,34)24-11-9-22(10-12-24)27(3,4)5/h6-12,17H,13-16,18H2,1-5H3