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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(naphthalen-1-ylmethylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(1-naphthylmethylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-(1-naphthalenylmethylamino)-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(naphthalen-1-ylmethylamino)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(1-naphthylmethylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C22H23N7O4 MolecularWeight: 449.46252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NCC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)NCC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C22H23N7O4/c23-18(30)12-25-22(31)17-9-4-10-28(17)21-19(29(32)33)20(26-13-27-21)24-11-15-7-3-6-14-5-1-2-8-16(14)15/h1-3,5-8,13,17H,4,9-12H2,(H2,23,30)(H,25,31)(H,24,26,27)