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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C21H27N7O6 MolecularWeight: 473.48238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N)OC

InChI

InChI=1S/C21H27N7O6/c1-33-14-8-13(9-15(10-14)34-2)5-6-23-19-18(28(31)32)20(26-12-25-19)27-7-3-4-16(27)21(30)24-11-17(22)29/h8-10,12,16H,3-7,11H2,1-2H3,(H2,22,29)(H,24,30)(H,23,25,26)