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

Systemtic Name: tert-butyl 4-chloranyl-6-methanoyl-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylate Openeye Name: tert-butyl 4-chloro-6-formyl-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylate CAS Name: 4-chloro-6-formyl-2-phenyl-7-pyrrolo[2,3-d]pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-chloro-6-formyl-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate Traditional Name: 4-chloro-6-formyl-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester Formula: C18H16ClN3O3 MolecularWeight: 357.79094

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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)C=O

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3/c1-18(2,3)25-17(24)22-12(10-23)9-13-14(19)20-15(21-16(13)22)11-7-5-4-6-8-11/h4-10H,1-3H3