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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

Isomeric SMILES

COC1=CC=CC(=C1OC)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

InChI

InChI=1S/C21H27N7O6/c1-33-15-7-3-5-13(18(15)34-2)8-9-23-19-17(28(31)32)20(26-12-25-19)27-10-4-6-14(27)21(30)24-11-16(22)29/h3,5,7,12,14H,4,6,8-11H2,1-2H3,(H2,22,29)(H,24,30)(H,23,25,26)