1-[4-(2-dimethylaminoethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(2-dimethylaminoethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(2-dimethylaminoethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(2-dimethylaminoethyl)-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-(2-dimethylaminoethyl)-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]ethanone Traditional Name: 1-[4-(2-dimethylaminoethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]ethanone Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(N=C1CCN(C)C)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=C(N=C(N=C1CCN(C)C)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3/c1-15(27)20-19(12-13-25(2)3)23-22(16-8-5-4-6-9-16)24-21(20)17-10-7-11-18(14-17)26(28)29/h4-11,14H,12-13H2,1-3H3