diethyl (E)-2-[5-iodanyl-2,4-bis(oxidanylidene)-3-prop-2-ynyl-pyrimidin-1-yl]but-2-enedioate

Systemtic Name: diethyl (E)-2-[5-iodanyl-2,4-bis(oxidanylidene)-3-prop-2-ynyl-pyrimidin-1-yl]but-2-enedioate Openeye Name: diethyl (E)-2-(5-iodo-2,4-dioxo-3-prop-2-ynyl-pyrimidin-1-yl)but-2-enedioate CAS Name: (E)-2-(5-iodo-2,4-dioxo-3-prop-2-ynyl-1-pyrimidinyl)-2-butenedioic acid diethyl ester IUPAC Name: diethyl (E)-2-(5-iodo-2,4-dioxo-3-prop-2-ynylpyrimidin-1-yl)but-2-enedioate Traditional Name: (E)-2-(5-iodo-2,4-diketo-3-propargyl-pyrimidin-1-yl)but-2-enedioic acid diethyl ester Formula: C15H15IN2O6 MolecularWeight: 446.19387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC#C)I

Isomeric SMILES

CCOC(=O)/C=C(\C(=O)OCC)/N1C=C(C(=O)N(C1=O)CC#C)I

InChI

InChI=1S/C15H15IN2O6/c1-4-7-17-13(20)10(16)9-18(15(17)22)11(14(21)24-6-3)8-12(19)23-5-2/h1,8-9H,5-7H2,2-3H3/b11-8+