2-[[4-[(4-ethanoylpiperazin-1-yl)methyl]-3-fluoranyl-pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile

Systemtic Name: 2-[[4-[(4-ethanoylpiperazin-1-yl)methyl]-3-fluoranyl-pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile Openeye Name: 2-[[4-[(4-acetylpiperazin-1-yl)methyl]-3-fluoro-2-pyridyl]amino]thiazole-5-carbonitrile CAS Name: 2-[[4-[(4-acetyl-1-piperazinyl)methyl]-3-fluoro-2-pyridinyl]amino]-5-thiazolecarbonitrile IUPAC Name: 2-[[4-[(4-acetylpiperazin-1-yl)methyl]-3-fluoropyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile Traditional Name: 2-[[4-[(4-acetylpiperazino)methyl]-3-fluoro-2-pyridyl]amino]thiazole-5-carbonitrile Formula: C16H17FN6OS MolecularWeight: 360.409183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=C(C(=NC=C2)NC3=NC=C(S3)C#N)F

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=C(C(=NC=C2)NC3=NC=C(S3)C#N)F

InChI

InChI=1S/C16H17FN6OS/c1-11(24)23-6-4-22(5-7-23)10-12-2-3-19-15(14(12)17)21-16-20-9-13(8-18)25-16/h2-3,9H,4-7,10H2,1H3,(H,19,20,21)