tert-butyl 2-[[6-[(2-ethoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-[(2-ethoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[(2-ethoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[(2-ethoxyphenyl)methylamino]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[(2-ethoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[(2-ethoxybenzyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C20H27N5O5 MolecularWeight: 417.45888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC2=C(C(=NC=N2)N(C)CC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1CNC2=C(C(=NC=N2)N(C)CC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O5/c1-6-29-15-10-8-7-9-14(15)11-21-18-17(25(27)28)19(23-13-22-18)24(5)12-16(26)30-20(2,3)4/h7-10,13H,6,11-12H2,1-5H3,(H,21,22,23)