2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[[6-[4-(4-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[[6-[4-(4-fluorophenyl)piperazino]pyrimidin-4-yl]thio]-N-(2-thenyl)acetamide Formula: C21H22FN5OS2 MolecularWeight: 443.560683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=CC(=NC=N3)SCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=CC(=NC=N3)SCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H22FN5OS2/c22-16-3-5-17(6-4-16)26-7-9-27(10-8-26)19-12-21(25-15-24-19)30-14-20(28)23-13-18-2-1-11-29-18/h1-6,11-12,15H,7-10,13-14H2,(H,23,28)