ethyl 3-[[6-[bis(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[bis(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[bis(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C27H25N5O4 MolecularWeight: 483.5185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O4/c1-2-36-27(33)22-14-9-15-23(16-22)30-25-24(32(34)35)26(29-19-28-25)31(17-20-10-5-3-6-11-20)18-21-12-7-4-8-13-21/h3-16,19H,2,17-18H2,1H3,(H,28,29,30)