tert-butyl 2-[methyl-[5-nitro-6-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]ethanoate

Systemtic Name: tert-butyl 2-[methyl-[5-nitro-6-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[5-nitro-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[5-nitro-6-[3-(2-oxo-1-pyrrolidinyl)propylamino]-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[5-nitro-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-[3-(2-ketopyrrolidino)propylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C18H28N6O5 MolecularWeight: 408.45212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCCCN2CCCC2=O

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCCCN2CCCC2=O

InChI

InChI=1S/C18H28N6O5/c1-18(2,3)29-14(26)11-22(4)17-15(24(27)28)16(20-12-21-17)19-8-6-10-23-9-5-7-13(23)25/h12H,5-11H2,1-4H3,(H,19,20,21)