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

Systemtic Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-4-methylsulfonyl-1,4-diazepane Openeye Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-4-methylsulfonyl-1,4-diazepane CAS Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-4-methylsulfonyl-1,4-diazepane IUPAC Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-4-methylsulfonyl-1,4-diazepane Traditional Name: 1-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-4-mesyl-1,4-diazepane Formula: C20H27FN4O2S MolecularWeight: 406.517383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C)CC3=CC(=CC=C3)F

InChI

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