methyl 4-[2-(2-dimethylaminoethylamino)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[2-(2-dimethylaminoethylamino)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(2-dimethylaminoethylamino)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[2-(2-dimethylaminoethylamino)ethyl]-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(2-dimethylaminoethylamino)ethyl]-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[2-(2-dimethylaminoethylamino)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C24H27N5O4 MolecularWeight: 449.50228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNCCC1=NC(=NC(=C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(C)CCNCCC1=NC(=NC(=C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C24H27N5O4/c1-28(2)15-14-25-13-12-20-21(24(30)33-3)22(18-10-7-11-19(16-18)29(31)32)27-23(26-20)17-8-5-4-6-9-17/h4-11,16,25H,12-15H2,1-3H3