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

Systemtic Name: 1-(2-dimethylaminoethyl)-3-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]urea hydrochloride Openeye Name: 1-(2-dimethylaminoethyl)-3-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]urea hydrochloride CAS Name: 1-(2-dimethylaminoethyl)-3-[4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]urea hydrochloride IUPAC Name: 1-(2-dimethylaminoethyl)-3-[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]urea hydrochloride Traditional Name: 1-(2-dimethylaminoethyl)-3-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]urea hydrochloride Formula: C22H25ClN6O3 MolecularWeight: 456.9253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1NC(=O)NCCN(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.Cl

Isomeric SMILES

CC1=NC(=NC(=C1NC(=O)NCCN(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.Cl

InChI

InChI=1S/C22H24N6O3.ClH/c1-15-19(26-22(29)23-12-13-27(2)3)20(17-10-7-11-18(14-17)28(30)31)25-21(24-15)16-8-5-4-6-9-16;/h4-11,14H,12-13H2,1-3H3,(H2,23,26,29);1H