methyl 2-[[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: methyl 2-[[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: methyl 2-[[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid methyl ester Formula: C14H21N5O4 MolecularWeight: 323.34764

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C1=NC=NC(=C1[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

CN(CC(=O)OC)C1=NC=NC(=C1[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C14H21N5O4/c1-17(9-11(20)23-2)13-12(19(21)22)14(16-10-15-13)18-7-5-3-4-6-8-18/h10H,3-9H2,1-2H3