5-[(3-fluorophenyl)methyl]-2,4-dimethyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(3-fluorophenyl)methyl]-4-(4-isopropylsulfonylpiperazin-1-yl)-2,6-dimethyl-pyrimidine CAS Name: 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-6-(4-propan-2-ylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(3-fluorobenzyl)-4-(4-isopropylsulfonylpiperazino)-2,6-dimethyl-pyrimidine Formula: C20H27FN4O2S MolecularWeight: 406.517383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C(C)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C(C)C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H27FN4O2S/c1-14(2)28(26,27)25-10-8-24(9-11-25)20-19(15(3)22-16(4)23-20)13-17-6-5-7-18(21)12-17/h5-7,12,14H,8-11,13H2,1-4H3