[2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate

Systemtic Name: [2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 1-oxo-3-phenyl-isochromane-6-carboxylate CAS Name: 1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: 1-keto-3-phenyl-isochroman-6-carboxylic acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C24H21N3O7 MolecularWeight: 463.43944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)N

InChI

InChI=1S/C24H21N3O7/c1-26-20(25)19(21(29)27(2)24(26)32)17(28)12-33-22(30)14-8-9-16-15(10-14)11-18(34-23(16)31)13-6-4-3-5-7-13/h3-10,18H,11-12,25H2,1-2H3