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

Systemtic Name: 5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 1-benzyl-5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-6-hydroxy-pyrimidine-2,4-dione CAS Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-6-hydroxy-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 1-benzyl-5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxypyrimidine-2,4-dione Traditional Name: 1-benzyl-6-hydroxy-5-[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]pyrimidine-2,4-quinone Formula: C21H18N2O7 MolecularWeight: 410.37682

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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=CC=C4)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O7/c1-28-13-9-8-12-14(17(13)29-2)20(26)30-16(12)15-18(24)22-21(27)23(19(15)25)10-11-6-4-3-5-7-11/h3-9,16,25H,10H2,1-2H3,(H,22,24,27)/t16-/m0/s1