tert-butyl 2-[[6-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[[2-(dimethylamino)-2-oxo-ethyl]amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[[2-(dimethylamino)-2-oxoethyl]amino]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[[2-(dimethylamino)-2-oxoethyl]amino]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[[2-(dimethylamino)-2-keto-ethyl]amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C15H24N6O5 MolecularWeight: 368.38826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N6O5/c1-15(2,3)26-11(23)8-20(6)14-12(21(24)25)13(17-9-18-14)16-7-10(22)19(4)5/h9H,7-8H2,1-6H3,(H,16,17,18)