ethyl 4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[5-(2-amino-4-pyrimidinyl)-4-(4-fluorophenyl)-2-thiazolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)thiazol-2-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H22FN5O2S MolecularWeight: 427.495083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C2=NC(=C(S2)C3=NC(=NC=C3)N)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C2=NC(=C(S2)C3=NC(=NC=C3)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN5O2S/c1-2-29-21(28)27-11-8-14(9-12-27)19-26-17(13-3-5-15(22)6-4-13)18(30-19)16-7-10-24-20(23)25-16/h3-7,10,14H,2,8-9,11-12H2,1H3,(H2,23,24,25)