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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-(4-phenylbutylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[5-nitro-6-(4-phenylbutylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(4-phenylbutylamino)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(4-phenylbutylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[5-nitro-6-(4-phenylbutylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C21H27N7O4 MolecularWeight: 441.48358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NCCCCC3=CC=CC=C3)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)NCCCCC3=CC=CC=C3)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C21H27N7O4/c22-17(29)13-24-21(30)16-10-6-12-27(16)20-18(28(31)32)19(25-14-26-20)23-11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,14,16H,4-6,9-13H2,(H2,22,29)(H,24,30)(H,23,25,26)