methyl 4-(diethylaminomethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(diethylaminomethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-(diethylaminomethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(diethylaminomethyl)-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(diethylaminomethyl)-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(diethylaminomethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C23H24N4O4 MolecularWeight: 420.46106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NC(=NC(=C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CC1=NC(=NC(=C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H24N4O4/c1-4-26(5-2)15-19-20(23(28)31-3)21(17-12-9-13-18(14-17)27(29)30)25-22(24-19)16-10-7-6-8-11-16/h6-14H,4-5,15H2,1-3H3