N',N'-dimethyl-N-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]ethane-1,2-diamine

Systemtic Name: N',N'-dimethyl-N-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]ethane-1,2-diamine Openeye Name: N',N'-dimethyl-N-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]ethane-1,2-diamine CAS Name: N',N'-dimethyl-N-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]methyl]ethane-1,2-diamine IUPAC Name: N',N'-dimethyl-N-[[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]methyl]ethane-1,2-diamine Traditional Name: dimethyl-[2-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methylamino]ethyl]amine Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1CNCCN(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1CNCCN(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2/c1-16-20(15-23-12-13-26(2)3)21(18-10-7-11-19(14-18)27(28)29)25-22(24-16)17-8-5-4-6-9-17/h4-11,14,23H,12-13,15H2,1-3H3