tert-butyl 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[methyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amino]acetic acid tert-butyl ester Formula: C19H23N5O6 MolecularWeight: 417.41582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H23N5O6/c1-19(2,3)30-15(25)9-23(4)18-16(24(26)27)17(21-10-22-18)20-8-12-5-6-13-14(7-12)29-11-28-13/h5-7,10H,8-9,11H2,1-4H3,(H,20,21,22)