[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)amino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)amino]-2-keto-ethyl] ester Formula: C17H15N5O6 MolecularWeight: 385.3309

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H15N5O6/c1-21-11(7-13(24)22(2)17(21)27)18-12(23)8-28-16(26)14-9-5-3-4-6-10(9)15(25)20-19-14/h3-7H,8H2,1-2H3,(H,18,23)(H,20,25)