prop-2-ynyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: prop-2-ynyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxidanylidene-butanoate Openeye Name: prop-2-ynyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxo-butanoate CAS Name: 4-[(2,6-dimethoxy-4-pyrimidinyl)amino]-4-oxobutanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobutanoate Traditional Name: 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-keto-butyric acid propargyl ester Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NC(=O)CCC(=O)OCC#C)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NC(=O)CCC(=O)OCC#C)OC

InChI

InChI=1S/C13H15N3O5/c1-4-7-21-12(18)6-5-10(17)14-9-8-11(19-2)16-13(15-9)20-3/h1,8H,5-7H2,2-3H3,(H,14,15,16,17)