ethyl 8-cyano-3-ethanoyl-4-(ethoxymethyl)-6,7-dimethyl-1H-pyrrolo[1,2-a]pyrimidine-4-carboxylate

Systemtic Name: ethyl 8-cyano-3-ethanoyl-4-(ethoxymethyl)-6,7-dimethyl-1H-pyrrolo[1,2-a]pyrimidine-4-carboxylate Openeye Name: ethyl 3-acetyl-8-cyano-4-(ethoxymethyl)-6,7-dimethyl-1H-pyrrolo[1,2-a]pyrimidine-4-carboxylate CAS Name: 3-acetyl-8-cyano-4-(ethoxymethyl)-6,7-dimethyl-1H-pyrrolo[1,2-a]pyrimidine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-8-cyano-4-(ethoxymethyl)-6,7-dimethyl-1H-pyrrolo[1,2-a]pyrimidine-4-carboxylate Traditional Name: 3-acetyl-8-cyano-4-(ethoxymethyl)-6,7-dimethyl-1H-pyrrolo[1,2-a]pyrimidine-4-carboxylic acid ethyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1(C(=CNC2=C(C(=C(N21)C)C)C#N)C(=O)C)C(=O)OCC

Isomeric SMILES

CCOCC1(C(=CNC2=C(C(=C(N21)C)C)C#N)C(=O)C)C(=O)OCC

InChI

InChI=1S/C18H23N3O4/c1-6-24-10-18(17(23)25-7-2)15(13(5)22)9-20-16-14(8-19)11(3)12(4)21(16)18/h9,20H,6-7,10H2,1-5H3