2-(2-chloranyl-6-fluoranyl-phenyl)ethyl 4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxylate

Systemtic Name: 2-(2-chloranyl-6-fluoranyl-phenyl)ethyl 4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxylate Openeye Name: 2-(2-chloro-6-fluoro-phenyl)ethyl 4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxylate CAS Name: 4-(4-thieno[2,3-d]pyrimidinyl)-1-piperazinecarboxylic acid 2-(2-chloro-6-fluorophenyl)ethyl ester IUPAC Name: 2-(2-chloro-6-fluorophenyl)ethyl 4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxylate Traditional Name: 4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxylic acid 2-(2-chloro-6-fluoro-phenyl)ethyl ester Formula: C19H18ClFN4O2S MolecularWeight: 420.888223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CSC3=NC=N2)C(=O)OCCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CCN1C2=C3C=CSC3=NC=N2)C(=O)OCCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H18ClFN4O2S/c20-15-2-1-3-16(21)13(15)4-10-27-19(26)25-8-6-24(7-9-25)17-14-5-11-28-18(14)23-12-22-17/h1-3,5,11-12H,4,6-10H2