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

Systemtic Name: (6-methyl-4-oxidanylidene-3-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl) 2,2-dimethylpropanoate Openeye Name: (6-methyl-4-oxo-3-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl) 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (6-methyl-4-oxo-3-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl) ester IUPAC Name: (6-methyl-4-oxo-3-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl) 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (4-keto-6-methyl-3-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl) ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)N=CN(C2=O)CCC3=CC=CC=C3)OC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C2=C(N1)N=CN(C2=O)CCC3=CC=CC=C3)OC(=O)C(C)(C)C

InChI

InChI=1S/C20H23N3O3/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,10-11H2,1-4H3