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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-(2-propan-2-yloxyphenoxy)pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(2-isopropoxyphenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(2-propan-2-yloxyphenoxy)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(2-propan-2-yloxyphenoxy)pyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(2-isopropoxyphenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C20H24N6O6 MolecularWeight: 444.44116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

Isomeric SMILES

CC(C)OC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

InChI

InChI=1S/C20H24N6O6/c1-12(2)31-14-7-3-4-8-15(14)32-20-17(26(29)30)18(23-11-24-20)25-9-5-6-13(25)19(28)22-10-16(21)27/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H2,21,27)(H,22,28)