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

Systemtic Name: tert-butyl 4-chloranyl-6-(phenoxymethyl)-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylate Openeye Name: tert-butyl 4-chloro-6-(phenoxymethyl)-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylate CAS Name: 4-chloro-6-(phenoxymethyl)-2-phenyl-7-pyrrolo[2,3-d]pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-chloro-6-(phenoxymethyl)-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate Traditional Name: 4-chloro-6-(phenoxymethyl)-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester Formula: C24H22ClN3O3 MolecularWeight: 435.90278

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O3/c1-24(2,3)31-23(29)28-17(15-30-18-12-8-5-9-13-18)14-19-20(25)26-21(27-22(19)28)16-10-6-4-7-11-16/h4-14H,15H2,1-3H3