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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[2-(2-ethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[2-(2-ethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[2-(2-ethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[2-(2-ethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[5-nitro-6-(2-o-phenetylethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C21H27N7O5 MolecularWeight: 457.48298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

InChI

InChI=1S/C21H27N7O5/c1-2-33-16-8-4-3-6-14(16)9-10-23-19-18(28(31)32)20(26-13-25-19)27-11-5-7-15(27)21(30)24-12-17(22)29/h3-4,6,8,13,15H,2,5,7,9-12H2,1H3,(H2,22,29)(H,24,30)(H,23,25,26)