ethyl 4-azanyl-2-[2-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(4-ethoxycarbonyl-1-piperidyl)-2-oxo-ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-(4-ethoxycarbonyl-1-piperidinyl)-2-oxoethoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-(4-carbethoxypiperidino)-2-keto-ethoxy]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H26N4O7S MolecularWeight: 454.49734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C19H26N4O7S/c1-3-28-17(26)12-5-7-23(8-6-12)14(24)10-30-15(25)11-31-19-21-9-13(16(20)22-19)18(27)29-4-2/h9,12H,3-8,10-11H2,1-2H3,(H2,20,21,22)