ethyl 3-[[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-[2-(3,5-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C24H29N5O7 MolecularWeight: 499.51636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C24H29N5O7/c1-4-35-21(30)8-10-28(15-18-6-5-11-36-18)24-22(29(31)32)23(26-16-27-24)25-9-7-17-12-19(33-2)14-20(13-17)34-3/h5-6,11-14,16H,4,7-10,15H2,1-3H3,(H,25,26,27)