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

Systemtic Name: methyl 4-[[6-[bis(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[bis(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C26H23N5O4 MolecularWeight: 469.49192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O4/c1-35-26(32)21-12-14-22(15-13-21)29-24-23(31(33)34)25(28-18-27-24)30(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3,(H,27,28,29)