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

Systemtic Name: ethyl 3-[[6-(4-cyclohexylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(4-cyclohexylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(4-cyclohexyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-cyclohexylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(4-cyclohexylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C24H34N6O5 MolecularWeight: 486.56396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C24H34N6O5/c1-2-34-21(31)10-11-29(17-20-9-6-16-35-20)24-22(30(32)33)23(25-18-26-24)28-14-12-27(13-15-28)19-7-4-3-5-8-19/h6,9,16,18-19H,2-5,7-8,10-15,17H2,1H3