methyl 4-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[(4-methoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N5O5/c1-29-16-9-3-13(4-10-16)11-21-18-17(25(27)28)19(23-12-22-18)24-15-7-5-14(6-8-15)20(26)30-2/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24)