N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(3-isopropoxypropylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(3-propan-2-yloxypropylamino)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(3-isopropoxypropylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C17H27N7O5 MolecularWeight: 409.44018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC2C(=O)NCC(=O)N

Isomeric SMILES

CC(C)OCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC2C(=O)NCC(=O)N

InChI

InChI=1S/C17H27N7O5/c1-11(2)29-8-4-6-19-15-14(24(27)28)16(22-10-21-15)23-7-3-5-12(23)17(26)20-9-13(18)25/h10-12H,3-9H2,1-2H3,(H2,18,25)(H,20,26)(H,19,21,22)