5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-1-[(4-fluorophenyl)methyl]-6-oxidanyl-pyrimidine-2,4-dione

Systemtic Name: 5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-1-[(4-fluorophenyl)methyl]-6-oxidanyl-pyrimidine-2,4-dione Openeye Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-pyrimidine-2,4-dione CAS Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione IUPAC Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione Traditional Name: 1-(4-fluorobenzyl)-6-hydroxy-5-[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]pyrimidine-2,4-quinone Formula: C21H17FN2O7 MolecularWeight: 428.367283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)C3=C(N(C(=O)NC3=O)CC4=CC=C(C=C4)F)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)C3=C(N(C(=O)NC3=O)CC4=CC=C(C=C4)F)O)OC

InChI

InChI=1S/C21H17FN2O7/c1-29-13-8-7-12-14(17(13)30-2)20(27)31-16(12)15-18(25)23-21(28)24(19(15)26)9-10-3-5-11(22)6-4-10/h3-8,16,26H,9H2,1-2H3,(H,23,25,28)/t16-/m0/s1