1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone Formula: C25H29FN4OS MolecularWeight: 452.587363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CC3=CC=CS3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CC3=CC=CS3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H29FN4OS/c1-3-23-22(16-19-7-4-8-20(26)15-19)25(28-18(2)27-23)30-11-6-10-29(12-13-30)24(31)17-21-9-5-14-32-21/h4-5,7-9,14-15H,3,6,10-13,16-17H2,1-2H3