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

Systemtic Name: 1-butylsulfonyl-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-butylsulfonyl-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-butylsulfonyl-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-butylsulfonyl-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-butylsulfonyl-4-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane Formula: C22H31FN4O2S MolecularWeight: 434.570543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31FN4O2S/c1-4-5-14-30(28,29)27-11-7-10-26(12-13-27)22-21(17(2)24-18(3)25-22)16-19-8-6-9-20(23)15-19/h6,8-9,15H,4-5,7,10-14,16H2,1-3H3