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

Systemtic Name: tert-butyl 4-chloranyl-6-[(2-methoxy-2-oxidanylidene-ethoxy)methyl]-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylate Openeye Name: tert-butyl 4-chloro-6-[(2-methoxy-2-oxo-ethoxy)methyl]-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylate CAS Name: 4-chloro-6-[(2-methoxy-2-oxoethoxy)methyl]-2-phenyl-7-pyrrolo[2,3-d]pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-chloro-6-[(2-methoxy-2-oxoethoxy)methyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate Traditional Name: 4-chloro-6-[(2-keto-2-methoxy-ethoxy)methyl]-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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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)COCC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC2=C1N=C(N=C2Cl)C3=CC=CC=C3)COCC(=O)OC

InChI

InChI=1S/C21H22ClN3O5/c1-21(2,3)30-20(27)25-14(11-29-12-16(26)28-4)10-15-17(22)23-18(24-19(15)25)13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3