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

Systemtic Name: 3-[2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(6-amino-1-isobutyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C20H20N5O6- MolecularWeight: 426.4027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O6/c1-10(2)8-24-16(21)14(18(28)23(3)20(24)31)13(26)9-25-17(27)12-7-5-4-6-11(12)15(22-25)19(29)30/h4-7,10H,8-9,21H2,1-3H3,(H,29,30)/p-1