ethyl 4-(2-methylbutylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-methylbutylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-methylbutylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(2-methylbutylamino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylbutylamino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(2-methylbutylamino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C13H21N3O2S MolecularWeight: 283.38974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=NC(=NC=C1C(=O)OCC)SC

Isomeric SMILES

CCC(C)CNC1=NC(=NC=C1C(=O)OCC)SC

InChI

InChI=1S/C13H21N3O2S/c1-5-9(3)7-14-11-10(12(17)18-6-2)8-15-13(16-11)19-4/h8-9H,5-7H2,1-4H3,(H,14,15,16)