ethyl 4-(butan-2-ylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(butan-2-ylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-(sec-butylamino)pyrimidine-5-carboxylate CAS Name: 4-(butan-2-ylamino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(butan-2-ylamino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(sec-butylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C12H19N3O2S MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=NC=C1C(=O)OCC)SC

Isomeric SMILES

CCC(C)NC1=NC(=NC=C1C(=O)OCC)SC

InChI

InChI=1S/C12H19N3O2S/c1-5-8(3)14-10-9(11(16)17-6-2)7-13-12(15-10)18-4/h7-8H,5-6H2,1-4H3,(H,13,14,15)