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

Systemtic Name: [6-methyl-4-oxidanylidene-3-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl] 2,2-dimethylpropanoate Openeye Name: [6-methyl-4-oxo-3-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-methyl-4-oxo-3-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl] ester IUPAC Name: [6-methyl-4-oxo-3-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-keto-6-methyl-3-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl] ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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)OC(=O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3/c1-13-16(26-19(25)20(2,3)4)15-17(22-13)21-12-23(18(15)24)11-10-14-8-6-5-7-9-14/h5-9,12,22H,1-4H3