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

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxylate CAS Name: 4-(4-thieno[2,3-d]pyrimidinyl)-1-piperazinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxylate Traditional Name: 4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C18H16ClFN4O2S MolecularWeight: 406.861643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CSC3=NC=N2)C(=O)OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CCN1C2=C3C=CSC3=NC=N2)C(=O)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C18H16ClFN4O2S/c19-14-2-1-3-15(20)13(14)10-26-18(25)24-7-5-23(6-8-24)16-12-4-9-27-17(12)22-11-21-16/h1-4,9,11H,5-8,10H2