(phenylmethyl) 2-[4-(3-azanylphenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-4-cyano-benzoate

Systemtic Name: (phenylmethyl) 2-[4-(3-azanylphenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-4-cyano-benzoate Openeye Name: benzyl 2-[4-(3-aminophenoxy)-6-(benzylamino)-5-nitro-pyrimidin-2-yl]oxy-4-cyano-benzoate CAS Name: 2-[[4-(3-aminophenoxy)-5-nitro-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]-4-cyanobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(3-aminophenoxy)-6-(benzylamino)-5-nitropyrimidin-2-yl]oxy-4-cyanobenzoate Traditional Name: 2-[4-(3-aminophenoxy)-6-(benzylamino)-5-nitro-pyrimidin-2-yl]oxy-4-cyano-benzoic acid benzyl ester Formula: C32H24N6O6 MolecularWeight: 588.56956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC(=N2)OC3=C(C=CC(=C3)C#N)C(=O)OCC4=CC=CC=C4)OC5=CC=CC(=C5)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC(=N2)OC3=C(C=CC(=C3)C#N)C(=O)OCC4=CC=CC=C4)OC5=CC=CC(=C5)N)[N+](=O)[O-]

InChI

InChI=1S/C32H24N6O6/c33-18-23-14-15-26(31(39)42-20-22-10-5-2-6-11-22)27(16-23)44-32-36-29(35-19-21-8-3-1-4-9-21)28(38(40)41)30(37-32)43-25-13-7-12-24(34)17-25/h1-17H,19-20,34H2,(H,35,36,37)