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

Systemtic Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C24H27FN4OS MolecularWeight: 438.560783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=CS3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=CS3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C24H27FN4OS/c1-3-21-20(16-18-7-4-8-19(25)15-18)23(27-17(2)26-21)28-10-6-11-29(13-12-28)24(30)22-9-5-14-31-22/h4-5,7-9,14-15H,3,6,10-13,16H2,1-2H3