1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-4-tosyl-1,4-diazepane Formula: C26H31FN4O2S MolecularWeight: 482.613343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC(=CC=C4)F

InChI

InChI=1S/C26H31FN4O2S/c1-4-25-24(18-21-7-5-8-22(27)17-21)26(29-20(3)28-25)30-13-6-14-31(16-15-30)34(32,33)23-11-9-19(2)10-12-23/h5,7-12,17H,4,6,13-16,18H2,1-3H3