ethyl 4-azanyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(3-methylisoxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(3-methyl-5-isoxazolyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(3-methylisoxazol-5-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=NO2)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=NO2)C

InChI

InChI=1S/C12H14N4O3S/c1-3-18-11(17)9-5-14-12(15-10(9)13)20-6-8-4-7(2)16-19-8/h4-5H,3,6H2,1-2H3,(H2,13,14,15)