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

Systemtic Name: tert-butyl 4-chloranyl-6-methyl-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylate Openeye Name: tert-butyl 4-chloro-6-methyl-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylate CAS Name: 4-chloro-6-methyl-2-phenyl-7-pyrrolo[2,3-d]pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-chloro-6-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate Traditional Name: 4-chloro-6-methyl-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester Formula: C18H18ClN3O2 MolecularWeight: 343.80742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C(=O)OC(C)(C)C)N=C(N=C2Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(N1C(=O)OC(C)(C)C)N=C(N=C2Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H18ClN3O2/c1-11-10-13-14(19)20-15(12-8-6-5-7-9-12)21-16(13)22(11)17(23)24-18(2,3)4/h5-10H,1-4H3