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

Systemtic Name: [4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazino]-(2-thienyl)methanone Formula: C22H23FN4OS MolecularWeight: 410.507623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C22H23FN4OS/c1-15-19(14-17-5-3-6-18(23)13-17)21(25-16(2)24-15)26-8-10-27(11-9-26)22(28)20-7-4-12-29-20/h3-7,12-13H,8-11,14H2,1-2H3