2-[[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[(S)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[(S)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CNC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CN[C@@H](C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C21H22FN5OS/c22-17-6-4-16(5-7-17)20(18-3-1-14-29-18)25-15-19(28)26-10-12-27(13-11-26)21-23-8-2-9-24-21/h1-9,14,20,25H,10-13,15H2/t20-/m0/s1