tert-butyl 4-chloranyl-6-[(4-fluoranylphenoxy)methyl]-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylate

Systemtic Name: tert-butyl 4-chloranyl-6-[(4-fluoranylphenoxy)methyl]-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylate Openeye Name: tert-butyl 4-chloro-6-[(4-fluorophenoxy)methyl]-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylate CAS Name: 4-chloro-6-[(4-fluorophenoxy)methyl]-2-phenyl-7-pyrrolo[2,3-d]pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-chloro-6-[(4-fluorophenoxy)methyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate Traditional Name: 4-chloro-6-[(4-fluorophenoxy)methyl]-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester Formula: C24H21ClFN3O3 MolecularWeight: 453.893243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC2=C1N=C(N=C2Cl)C3=CC=CC=C3)COC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC2=C1N=C(N=C2Cl)C3=CC=CC=C3)COC4=CC=C(C=C4)F

InChI

InChI=1S/C24H21ClFN3O3/c1-24(2,3)32-23(30)29-17(14-31-18-11-9-16(26)10-12-18)13-19-20(25)27-21(28-22(19)29)15-7-5-4-6-8-15/h4-13H,14H2,1-3H3