4-[6-(2,2-dimethylpropoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]thiomorpholine

Systemtic Name: 4-[6-(2,2-dimethylpropoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]thiomorpholine Openeye Name: 4-[6-(2,2-dimethylpropoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]thiomorpholine CAS Name: 4-[6-(2,2-dimethylpropoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]thiomorpholine IUPAC Name: 4-[6-(2,2-dimethylpropoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]thiomorpholine Traditional Name: 4-[2-(methylthio)-6-neopentyloxy-5-nitro-pyrimidin-4-yl]thiomorpholine Formula: C14H22N4O3S2 MolecularWeight: 358.47948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)SC

Isomeric SMILES

CC(C)(C)COC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)SC

InChI

InChI=1S/C14H22N4O3S2/c1-14(2,3)9-21-12-10(18(19)20)11(15-13(16-12)22-4)17-5-7-23-8-6-17/h5-9H2,1-4H3