ethyl 4-azanyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2-morpholino-2-oxo-ethyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-keto-2-morpholino-ethyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCOCC2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCOCC2

InChI

InChI=1S/C13H18N4O4S/c1-2-21-12(19)9-7-15-13(16-11(9)14)22-8-10(18)17-3-5-20-6-4-17/h7H,2-6,8H2,1H3,(H2,14,15,16)