N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-(3,4,5-trimethylphenoxy)pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-(3,4,5-trimethylphenoxy)pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[5-nitro-6-(3,4,5-trimethylphenoxy)pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(3,4,5-trimethylphenoxy)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(3,4,5-trimethylphenoxy)pyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[5-nitro-6-(3,4,5-trimethylphenoxy)pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1C)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

InChI

InChI=1S/C20H24N6O5/c1-11-7-14(8-12(2)13(11)3)31-20-17(26(29)30)18(23-10-24-20)25-6-4-5-15(25)19(28)22-9-16(21)27/h7-8,10,15H,4-6,9H2,1-3H3,(H2,21,27)(H,22,28)