diethyl 2-[(3-ethyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]propanedioate

Systemtic Name: diethyl 2-[(3-ethyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]propanedioate Openeye Name: diethyl 2-[(3-ethyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanedioate CAS Name: 2-[[(3-ethyl-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]propanedioate Traditional Name: 2-[(3-ethyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl)amino]malonic acid diethyl ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC(C(=O)OCC)C(=O)OCC)C

Isomeric SMILES

CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC(C(=O)OCC)C(=O)OCC)C

InChI

InChI=1S/C17H21N3O6S/c1-5-20-8-18-14-10(15(20)22)9(4)12(27-14)13(21)19-11(16(23)25-6-2)17(24)26-7-3/h8,11H,5-7H2,1-4H3,(H,19,21)