ethyl 4-[2,3-bis(oxidanyl)propylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2,3-bis(oxidanyl)propylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,3-dihydroxypropylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(2,3-dihydroxypropylamino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydroxypropylamino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(glycerylamino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C11H17N3O4S MolecularWeight: 287.33538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC(CO)O)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC(CO)O)SC

InChI

InChI=1S/C11H17N3O4S/c1-3-18-10(17)8-5-13-11(19-2)14-9(8)12-4-7(16)6-15/h5,7,15-16H,3-4,6H2,1-2H3,(H,12,13,14)