ethyl 3-[[6-(4-ethanoyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[6-(4-ethanoyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(4-acetyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(4-acetyl-1,4-diazepan-1-yl)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-acetyl-1,4-diazepan-1-yl)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(4-acetyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C21H28N6O6 MolecularWeight: 460.48362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCN(CC3)C(=O)C

InChI

InChI=1S/C21H28N6O6/c1-3-32-18(29)7-10-26(14-17-6-4-13-33-17)21-19(27(30)31)20(22-15-23-21)25-9-5-8-24(11-12-25)16(2)28/h4,6,13,15H,3,5,7-12,14H2,1-2H3