3-phenyl-3-(pyrimidin-2-ylamino)-2-benzofuran-1-one

Systemtic Name: 3-phenyl-3-(pyrimidin-2-ylamino)-2-benzofuran-1-one Openeye Name: 3-phenyl-3-(pyrimidin-2-ylamino)isobenzofuran-1-one CAS Name: 3-phenyl-3-(2-pyrimidinylamino)-1-isobenzofuranone IUPAC Name: 3-phenyl-3-(pyrimidin-2-ylamino)-2-benzofuran-1-one Traditional Name: 3-phenyl-3-(2-pyrimidylamino)phthalide Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)NC4=NC=CC=N4

InChI

InChI=1S/C18H13N3O2/c22-16-14-9-4-5-10-15(14)18(23-16,13-7-2-1-3-8-13)21-17-19-11-6-12-20-17/h1-12H,(H,19,20,21)