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

Systemtic Name: 1-[6-(2-adamantylamino)-5-nitro-pyrimidin-4-yl]-N-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidine-2-carboxamide Openeye Name: 1-[6-(2-adamantylamino)-5-nitro-pyrimidin-4-yl]-N-(2-amino-2-oxo-ethyl)pyrrolidine-2-carboxamide CAS Name: 1-[6-(2-adamantylamino)-5-nitro-4-pyrimidinyl]-N-(2-amino-2-oxoethyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(2-adamantylamino)-5-nitropyrimidin-4-yl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide Traditional Name: 1-[6-(2-adamantylamino)-5-nitro-pyrimidin-4-yl]-N-(2-amino-2-keto-ethyl)pyrrolidine-2-carboxamide Formula: C21H29N7O4 MolecularWeight: 443.49946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C21H29N7O4/c22-16(29)9-23-21(30)15-2-1-3-27(15)20-18(28(31)32)19(24-10-25-20)26-17-13-5-11-4-12(7-13)8-14(17)6-11/h10-15,17H,1-9H2,(H2,22,29)(H,23,30)(H,24,25,26)