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

Systemtic Name: ethyl 3-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C23H25N5O6 MolecularWeight: 467.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O6/c1-4-34-23(29)16-6-5-7-17(13-16)27-22-20(28(30)31)21(25-14-26-22)24-11-10-15-8-9-18(32-2)19(12-15)33-3/h5-9,12-14H,4,10-11H2,1-3H3,(H2,24,25,26,27)