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

Systemtic Name: 3-[2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C17H14N5O6- MolecularWeight: 384.32296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-])N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-])N

InChI

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