tert-butyl 3-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxypyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxypyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[6-(4-methylsulfonylanilino)-5-nitro-pyrimidin-4-yl]oxypyrrolidine-1-carboxylate CAS Name: 3-[[6-(4-methylsulfonylanilino)-5-nitro-4-pyrimidinyl]oxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-(4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]oxypyrrolidine-1-carboxylate Traditional Name: 3-[6-(4-mesylanilino)-5-nitro-pyrimidin-4-yl]oxypyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H25N5O7S MolecularWeight: 479.5068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H25N5O7S/c1-20(2,3)32-19(26)24-10-9-14(11-24)31-18-16(25(27)28)17(21-12-22-18)23-13-5-7-15(8-6-13)33(4,29)30/h5-8,12,14H,9-11H2,1-4H3,(H,21,22,23)