methyl 2-[[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-[(phenylmethyl)-(2-pyridinyl)amino]-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C24H20N6O4 MolecularWeight: 456.4534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N6O4/c1-34-24(31)18-11-5-6-12-19(18)28-22-21(30(32)33)23(27-16-26-22)29(20-13-7-8-14-25-20)15-17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,26,27,28)