3-(4-chlorophenyl)-3-(pyrimidin-2-ylamino)-2-benzofuran-1-one

Systemtic Name: 3-(4-chlorophenyl)-3-(pyrimidin-2-ylamino)-2-benzofuran-1-one Openeye Name: 3-(4-chlorophenyl)-3-(pyrimidin-2-ylamino)isobenzofuran-1-one CAS Name: 3-(4-chlorophenyl)-3-(2-pyrimidinylamino)-1-isobenzofuranone IUPAC Name: 3-(4-chlorophenyl)-3-(pyrimidin-2-ylamino)-2-benzofuran-1-one Traditional Name: 3-(4-chlorophenyl)-3-(2-pyrimidylamino)phthalide Formula: C18H12ClN3O2 MolecularWeight: 337.75978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)Cl)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)Cl)NC4=NC=CC=N4

InChI

InChI=1S/C18H12ClN3O2/c19-13-8-6-12(7-9-13)18(22-17-20-10-3-11-21-17)15-5-2-1-4-14(15)16(23)24-18/h1-11H,(H,20,21,22)