ethyl 4-azanyl-2-(1-ethoxy-1-oxidanylidene-butan-2-yl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(1-ethoxy-1-oxidanylidene-butan-2-yl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(1-ethoxycarbonylpropylsulfanyl)pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(1-ethoxy-1-oxobutan-2-yl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(1-ethoxy-1-oxobutan-2-yl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-(1-carbethoxypropylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC=C(C(=N1)N)C(=O)OCC

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC=C(C(=N1)N)C(=O)OCC

InChI

InChI=1S/C13H19N3O4S/c1-4-9(12(18)20-6-3)21-13-15-7-8(10(14)16-13)11(17)19-5-2/h7,9H,4-6H2,1-3H3,(H2,14,15,16)