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

Systemtic Name: methyl 4-(morpholin-4-ylmethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-(morpholinomethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(4-morpholinylmethyl)-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(morpholin-4-ylmethyl)-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(morpholinomethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(N=C1CN2CCOCC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(N=C(N=C1CN2CCOCC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O5/c1-31-23(28)20-19(15-26-10-12-32-13-11-26)24-22(16-6-3-2-4-7-16)25-21(20)17-8-5-9-18(14-17)27(29)30/h2-9,14H,10-13,15H2,1H3