tert-butyl 2-[[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C21H29N5O6 MolecularWeight: 447.48486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H29N5O6/c1-21(2,3)32-17(27)12-25(4)20-18(26(28)29)19(23-13-24-20)22-8-7-14-9-15(30-5)11-16(10-14)31-6/h9-11,13H,7-8,12H2,1-6H3,(H,22,23,24)