8-cyano-7-(4-fluorophenyl)-4-oxidanylidene-1-(phenylmethyl)pyrrolo[1,2-a]pyrimidine-3-carboxylic acid

Systemtic Name: 8-cyano-7-(4-fluorophenyl)-4-oxidanylidene-1-(phenylmethyl)pyrrolo[1,2-a]pyrimidine-3-carboxylic acid Openeye Name: 1-benzyl-8-cyano-7-(4-fluorophenyl)-4-oxo-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid CAS Name: 8-cyano-7-(4-fluorophenyl)-4-oxo-1-(phenylmethyl)-3-pyrrolo[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 1-benzyl-8-cyano-7-(4-fluorophenyl)-4-oxopyrrolo[1,2-a]pyrimidine-3-carboxylic acid Traditional Name: 1-benzyl-8-cyano-7-(4-fluorophenyl)-4-keto-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid Formula: C22H14FN3O3 MolecularWeight: 387.363263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=O)N3C2=C(C(=C3)C4=CC=C(C=C4)F)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=O)N3C2=C(C(=C3)C4=CC=C(C=C4)F)C#N)C(=O)O

InChI

InChI=1S/C22H14FN3O3/c23-16-8-6-15(7-9-16)18-13-26-20(17(18)10-24)25(11-14-4-2-1-3-5-14)12-19(21(26)27)22(28)29/h1-9,12-13H,11H2,(H,28,29)