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

Systemtic Name: 8-cyano-4-oxidanylidene-7-phenyl-1-(phenylmethyl)pyrrolo[1,2-a]pyrimidine-3-carboxylic acid Openeye Name: 1-benzyl-8-cyano-4-oxo-7-phenyl-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid CAS Name: 8-cyano-4-oxo-7-phenyl-1-(phenylmethyl)-3-pyrrolo[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 1-benzyl-8-cyano-4-oxo-7-phenylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid Traditional Name: 1-benzyl-8-cyano-4-keto-7-phenyl-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid Formula: C22H15N3O3 MolecularWeight: 369.3728

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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=CC=C4)C#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H15N3O3/c23-11-17-18(16-9-5-2-6-10-16)14-25-20(17)24(12-15-7-3-1-4-8-15)13-19(21(25)26)22(27)28/h1-10,13-14H,12H2,(H,27,28)