N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(3,7-dimethylocta-2,6-dienylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(3,7-dimethylocta-2,6-dienylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(3,7-dimethylocta-2,6-dienylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-(3,7-dimethylocta-2,6-dienylamino)-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(3,7-dimethylocta-2,6-dienylamino)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(3,7-dimethylocta-2,6-dienylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C21H31N7O4 MolecularWeight: 445.51534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC2C(=O)NCC(=O)N)C)C

Isomeric SMILES

CC(=CCCC(=CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC2C(=O)NCC(=O)N)C)C

InChI

InChI=1S/C21H31N7O4/c1-14(2)6-4-7-15(3)9-10-23-19-18(28(31)32)20(26-13-25-19)27-11-5-8-16(27)21(30)24-12-17(22)29/h6,9,13,16H,4-5,7-8,10-12H2,1-3H3,(H2,22,29)(H,24,30)(H,23,25,26)