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

Systemtic Name: tert-butyl 2-[[6-[2-(dibutylamino)ethylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[2-(dibutylamino)ethylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[2-(dibutylamino)ethylamino]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[2-(dibutylamino)ethylamino]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[2-(dibutylamino)ethylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C21H38N6O4 MolecularWeight: 438.56422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC1=C(C(=NC=N1)N(C)CC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)CCNC1=C(C(=NC=N1)N(C)CC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H38N6O4/c1-7-9-12-26(13-10-8-2)14-11-22-19-18(27(29)30)20(24-16-23-19)25(6)15-17(28)31-21(3,4)5/h16H,7-15H2,1-6H3,(H,22,23,24)