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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

InChI

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