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1-[5-[2-(ethylcarbamoylamino)-6-fluoranyl-1,3-benzothiazol-5-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid

1-[5-[2-(ethylcarbamoylamino)-6-fluoranyl-1,3-benzothiazol-5-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name:1-[5-[2-(ethylcarbamoylamino)-6-fluoranyl-1,3-benzothiazol-5-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid
Openeye Name:1-[5-[2-(ethylcarbamoylamino)-6-fluoro-1,3-benzothiazol-5-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid
CAS Name:1-[5-[2-(ethylcarbamoylamino)-6-fluoro-1,3-benzothiazol-5-yl]-2-pyrimidinyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[5-[2-(ethylcarbamoylamino)-6-fluoro-1,3-benzothiazol-5-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid
Traditional Name:1-[5-[2-(ethylcarbamoylamino)-6-fluoro-1,3-benzothiazol-5-yl]pyrimidin-2-yl]isonipecotic acid
Formula: C20H21FN6O3S
MolecularWeight: 444.482543
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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C=C(C(=C2)C3=CN=C(N=C3)N4CCC(CC4)C(=O)O)F


Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C=C(C(=C2)C3=CN=C(N=C3)N4CCC(CC4)C(=O)O)F


InChI

InChI=1S/C20H21FN6O3S/c1-2-22-19(30)26-20-25-15-7-13(14(21)8-16(15)31-20)12-9-23-18(24-10-12)27-5-3-11(4-6-27)17(28)29/h7-11H,2-6H2,1H3,(H,28,29)(H2,22,25,26,30)


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