N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(4-methylsulfonylphenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(4-methylsulfonylphenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(4-methylsulfonylphenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-(4-methylsulfonylphenoxy)-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(4-methylsulfonylphenoxy)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(4-mesylphenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C18H20N6O7S MolecularWeight: 464.4524

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

InChI

InChI=1S/C18H20N6O7S/c1-32(29,30)12-6-4-11(5-7-12)31-18-15(24(27)28)16(21-10-22-18)23-8-2-3-13(23)17(26)20-9-14(19)25/h4-7,10,13H,2-3,8-9H2,1H3,(H2,19,25)(H,20,26)