[6-methyl-4-oxidanylidene-3-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [6-methyl-4-oxidanylidene-3-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate Openeye Name: [6-methyl-4-oxo-3-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-methyl-4-oxo-3-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl ester IUPAC Name: [6-methyl-4-oxo-3-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-keto-6-methyl-3-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)N=CN(C2=O)C#CC3=CC=CC=C3)COC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C2=C(N1)N=CN(C2=O)C#CC3=CC=CC=C3)COC(=O)C(C)(C)C

InChI

InChI=1S/C21H21N3O3/c1-14-16(12-27-20(26)21(2,3)4)17-18(23-14)22-13-24(19(17)25)11-10-15-8-6-5-7-9-15/h5-9,13,23H,12H2,1-4H3