(4,6-dimethylpyrimidin-2-yl)-[(3-nitrophenyl)methyl]cyanamide

Systemtic Name: (4,6-dimethylpyrimidin-2-yl)-[(3-nitrophenyl)methyl]cyanamide Openeye Name: (4,6-dimethylpyrimidin-2-yl)-[(3-nitrophenyl)methyl]cyanamide CAS Name: (4,6-dimethyl-2-pyrimidinyl)-[(3-nitrophenyl)methyl]cyanamide IUPAC Name: (4,6-dimethylpyrimidin-2-yl)-[(3-nitrophenyl)methyl]cyanamide Traditional Name: (4,6-dimethylpyrimidin-2-yl)-(3-nitrobenzyl)cyanamide Formula: C14H13N5O2 MolecularWeight: 283.28532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(CC2=CC(=CC=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)N(CC2=CC(=CC=C2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C14H13N5O2/c1-10-6-11(2)17-14(16-10)18(9-15)8-12-4-3-5-13(7-12)19(20)21/h3-7H,8H2,1-2H3