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

Systemtic Name: [2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic 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] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C23H19N5O6 MolecularWeight: 461.42686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)N

InChI

InChI=1S/C23H19N5O6/c1-26-19(24)17(21(31)27(2)23(26)33)16(29)12-34-22(32)18-14-10-6-7-11-15(14)20(30)28(25-18)13-8-4-3-5-9-13/h3-11H,12,24H2,1-2H3