(phenylmethyl) 2-[[2-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: (phenylmethyl) 2-[[2-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: benzyl 2-[[2-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[2-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(4-acetamidoanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[2-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid benzyl ester Formula: C26H22N6O5 MolecularWeight: 498.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H22N6O5/c1-17(33)28-19-11-13-20(14-12-19)29-26-27-15-23(32(35)36)24(31-26)30-22-10-6-5-9-21(22)25(34)37-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,28,33)(H2,27,29,30,31)