2-[2-(5-bromanylnaphthalen-1-yl)-5-cyano-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(5-bromanylnaphthalen-1-yl)-5-cyano-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[2-(5-bromo-1-naphthyl)-5-cyano-6-oxo-4-phenyl-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-(5-bromo-1-naphthalenyl)-5-cyano-6-oxo-4-phenyl-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-(5-bromonaphthalen-1-yl)-5-cyano-6-oxo-4-phenylpyrimidin-1-yl]acetic acid Traditional Name: 2-[2-(5-bromo-1-naphthyl)-5-cyano-6-keto-4-phenyl-pyrimidin-1-yl]acetic acid Formula: C23H14BrN3O3 MolecularWeight: 460.27956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)C3=CC=CC4=C3C=CC=C4Br)CC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)C3=CC=CC4=C3C=CC=C4Br)CC(=O)O)C#N

InChI

InChI=1S/C23H14BrN3O3/c24-19-11-5-8-15-16(19)9-4-10-17(15)22-26-21(14-6-2-1-3-7-14)18(12-25)23(30)27(22)13-20(28)29/h1-11H,13H2,(H,28,29)