1-ethylsulfonyl-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane

Systemtic Name: 1-ethylsulfonyl-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-ethylsulfonyl-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-ethylsulfonyl-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-ethylsulfonyl-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-esyl-4-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane Formula: C20H27FN4O2S MolecularWeight: 406.517383

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)F)C)C

Isomeric SMILES

CCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)F)C)C

InChI

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