ethyl 4-azanyl-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=NO2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=NO2)C(C)(C)C

InChI

InChI=1S/C16H21N5O4S/c1-5-24-14(23)9-7-18-15(20-13(9)17)26-8-11(22)19-12-6-10(21-25-12)16(2,3)4/h6-7H,5,8H2,1-4H3,(H,19,22)(H2,17,18,20)