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

Systemtic Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-6-(4-isopropylsulfonylpiperazin-1-yl)-2-methyl-pyrimidine CAS Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-6-(4-propan-2-ylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-ethyl-5-(2-fluorobenzyl)-6-(4-isopropylsulfonylpiperazino)-2-methyl-pyrimidine Formula: C21H29FN4O2S MolecularWeight: 420.543963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C(C)C)CC3=CC=CC=C3F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C(C)C)CC3=CC=CC=C3F

InChI

InChI=1S/C21H29FN4O2S/c1-5-20-18(14-17-8-6-7-9-19(17)22)21(24-16(4)23-20)25-10-12-26(13-11-25)29(27,28)15(2)3/h6-9,15H,5,10-14H2,1-4H3