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

Systemtic Name: 2-methylpropyl 4-[[6-[bis(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[bis(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C29H29N5O4 MolecularWeight: 511.57166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)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

CC(C)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/C29H29N5O4/c1-21(2)19-38-29(35)24-13-15-25(16-14-24)32-27-26(34(36)37)28(31-20-30-27)33(17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23/h3-16,20-21H,17-19H2,1-2H3,(H,30,31,32)