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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[5-nitro-6-[(3,4,5-trimethoxybenzyl)amino]pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C21H27N7O7 MolecularWeight: 489.48178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

InChI

InChI=1S/C21H27N7O7/c1-33-14-7-12(8-15(34-2)18(14)35-3)9-23-19-17(28(31)32)20(26-11-25-19)27-6-4-5-13(27)21(30)24-10-16(22)29/h7-8,11,13H,4-6,9-10H2,1-3H3,(H2,22,29)(H,24,30)(H,23,25,26)