tert-butyl 2-[[6-(4-ethanoyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(4-ethanoyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(4-acetyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(4-acetyl-1,4-diazepan-1-yl)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(4-acetyl-1,4-diazepan-1-yl)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(4-acetyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C18H28N6O5 MolecularWeight: 408.45212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=C(C(=NC=N2)N(C)CC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=C(C(=NC=N2)N(C)CC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H28N6O5/c1-13(25)22-7-6-8-23(10-9-22)17-15(24(27)28)16(19-12-20-17)21(5)11-14(26)29-18(2,3)4/h12H,6-11H2,1-5H3