(3S)-6,7-dimethoxy-3-(pyrimidin-2-ylamino)-3H-2-benzofuran-1-one

Systemtic Name: (3S)-6,7-dimethoxy-3-(pyrimidin-2-ylamino)-3H-2-benzofuran-1-one Openeye Name: (3S)-6,7-dimethoxy-3-(pyrimidin-2-ylamino)-3H-isobenzofuran-1-one CAS Name: (3S)-6,7-dimethoxy-3-(2-pyrimidinylamino)-3H-isobenzofuran-1-one IUPAC Name: (3S)-6,7-dimethoxy-3-(pyrimidin-2-ylamino)-3H-2-benzofuran-1-one Traditional Name: (3S)-6,7-dimethoxy-3-(2-pyrimidylamino)phthalide Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC=CC=N3)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)NC3=NC=CC=N3)OC

InChI

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