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

Systemtic Name: (6-methyl-4-oxidanylidene-3-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl 2,2-dimethylpropanoate Openeye Name: (6-methyl-4-oxo-3-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (6-methyl-4-oxo-3-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl ester IUPAC Name: (6-methyl-4-oxo-3-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (4-keto-6-methyl-3-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/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,10-12H2,1-4H3