diethyl (E)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)but-2-enedioate

Systemtic Name: diethyl (E)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)but-2-enedioate Openeye Name: diethyl (E)-2-(4-amino-2-oxo-pyrimidin-1-yl)but-2-enedioate CAS Name: (E)-2-(4-amino-2-oxo-1-pyrimidinyl)-2-butenedioic acid diethyl ester IUPAC Name: diethyl (E)-2-(4-amino-2-oxopyrimidin-1-yl)but-2-enedioate Traditional Name: (E)-2-(4-amino-2-keto-pyrimidin-1-yl)but-2-enedioic acid diethyl ester Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C(=O)OCC)N1C=CC(=NC1=O)N

Isomeric SMILES

CCOC(=O)/C=C(\C(=O)OCC)/N1C=CC(=NC1=O)N

InChI

InChI=1S/C12H15N3O5/c1-3-19-10(16)7-8(11(17)20-4-2)15-6-5-9(13)14-12(15)18/h5-7H,3-4H2,1-2H3,(H2,13,14,18)/b8-7+