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

Systemtic Name: 1-[6-(1-adamantylmethylamino)-5-nitro-pyrimidin-4-yl]-N-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidine-2-carboxamide Openeye Name: 1-[6-(1-adamantylmethylamino)-5-nitro-pyrimidin-4-yl]-N-(2-amino-2-oxo-ethyl)pyrrolidine-2-carboxamide CAS Name: 1-[6-(1-adamantylmethylamino)-5-nitro-4-pyrimidinyl]-N-(2-amino-2-oxoethyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(1-adamantylmethylamino)-5-nitropyrimidin-4-yl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide Traditional Name: 1-[6-(1-adamantylmethylamino)-5-nitro-pyrimidin-4-yl]-N-(2-amino-2-keto-ethyl)pyrrolidine-2-carboxamide Formula: C22H31N7O4 MolecularWeight: 457.52604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)NCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C22H31N7O4/c23-17(30)10-24-21(31)16-2-1-3-28(16)20-18(29(32)33)19(26-12-27-20)25-11-22-7-13-4-14(8-22)6-15(5-13)9-22/h12-16H,1-11H2,(H2,23,30)(H,24,31)(H,25,26,27)