4-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine

Systemtic Name: 4-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine Openeye Name: 4-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-isopropyl-6-methyl-pyrimidine CAS Name: 4-[4-[(4-fluorophenyl)methylsulfonyl]-1-piperazinyl]-6-methyl-2-propan-2-ylpyrimidine IUPAC Name: 4-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine Traditional Name: 4-[4-(4-fluorobenzyl)sulfonylpiperazino]-2-isopropyl-6-methyl-pyrimidine Formula: C19H25FN4O2S MolecularWeight: 392.490803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25FN4O2S/c1-14(2)19-21-15(3)12-18(22-19)23-8-10-24(11-9-23)27(25,26)13-16-4-6-17(20)7-5-16/h4-7,12,14H,8-11,13H2,1-3H3