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

Systemtic Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-(2-phenylethenylsulfonyl)-1,4-diazepane Openeye Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-styrylsulfonyl-1,4-diazepane CAS Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-4-(2-phenylethenylsulfonyl)-1,4-diazepane IUPAC Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-4-(2-phenylethenylsulfonyl)-1,4-diazepane Traditional Name: 1-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-4-styrylsulfonyl-1,4-diazepane Formula: C26H29FN4O2S MolecularWeight: 480.597463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C26H29FN4O2S/c1-20-25(19-23-10-6-11-24(27)18-23)26(29-21(2)28-20)30-13-7-14-31(16-15-30)34(32,33)17-12-22-8-4-3-5-9-22/h3-6,8-12,17-18H,7,13-16,19H2,1-2H3