tert-butyl 2-[methyl-(5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)amino]ethanoate

Systemtic Name: tert-butyl 2-[methyl-(5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)amino]ethanoate Openeye Name: tert-butyl 2-[methyl-(5-nitro-6-thiomorpholino-pyrimidin-4-yl)amino]acetate CAS Name: 2-[methyl-(5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl)amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-(5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetate Traditional Name: 2-[methyl-(5-nitro-6-thiomorpholino-pyrimidin-4-yl)amino]acetic acid tert-butyl ester Formula: C15H23N5O4S MolecularWeight: 369.43922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCSCC2

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCSCC2

InChI

InChI=1S/C15H23N5O4S/c1-15(2,3)24-11(21)9-18(4)13-12(20(22)23)14(17-10-16-13)19-5-7-25-8-6-19/h10H,5-9H2,1-4H3