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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C21H26N8O4 MolecularWeight: 454.48234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)C(=O)NCC(=O)N

InChI

InChI=1S/C21H26N8O4/c22-17(30)13-23-21(31)16-7-4-8-28(16)20-18(29(32)33)19(24-14-25-20)27-11-9-26(10-12-27)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2,(H2,22,30)(H,23,31)