(3S)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[(4,6-dimethoxy-2-pyrimidinyl)amino]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]phthalide Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC2C3=CC=CC=C3C(=O)O2)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N[C@@H]2C3=CC=CC=C3C(=O)O2)OC

InChI

InChI=1S/C14H13N3O4/c1-19-10-7-11(20-2)16-14(15-10)17-12-8-5-3-4-6-9(8)13(18)21-12/h3-7,12H,1-2H3,(H,15,16,17)/t12-/m0/s1