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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC=C1C(=O)OCC)SC

Isomeric SMILES

CCCCNC1=NC(=NC=C1C(=O)OCC)SC

InChI

InChI=1S/C12H19N3O2S/c1-4-6-7-13-10-9(11(16)17-5-2)8-14-12(15-10)18-3/h8H,4-7H2,1-3H3,(H,13,14,15)