ethyl 8-cyano-4-oxidanylidene-7-phenyl-1-prop-2-ynyl-pyrrolo[1,2-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 8-cyano-4-oxidanylidene-7-phenyl-1-prop-2-ynyl-pyrrolo[1,2-a]pyrimidine-3-carboxylate Openeye Name: ethyl 8-cyano-4-oxo-7-phenyl-1-prop-2-ynyl-pyrrolo[1,2-a]pyrimidine-3-carboxylate CAS Name: 8-cyano-4-oxo-7-phenyl-1-prop-2-ynyl-3-pyrrolo[1,2-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-cyano-4-oxo-7-phenyl-1-prop-2-ynylpyrrolo[1,2-a]pyrimidine-3-carboxylate Traditional Name: 8-cyano-4-keto-7-phenyl-1-propargyl-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C20H15N3O3 MolecularWeight: 345.3514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=CN2C1=O)C3=CC=CC=C3)C#N)CC#C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=CN2C1=O)C3=CC=CC=C3)C#N)CC#C

InChI

InChI=1S/C20H15N3O3/c1-3-10-22-12-17(20(25)26-4-2)19(24)23-13-16(15(11-21)18(22)23)14-8-6-5-7-9-14/h1,5-9,12-13H,4,10H2,2H3