N-(3-imidazol-1-ylpropyl)-4-(3-nitrophenyl)pyrimidin-2-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-(3-nitrophenyl)pyrimidin-2-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-4-(3-nitrophenyl)pyrimidin-2-amine CAS Name: N-[3-(1-imidazolyl)propyl]-4-(3-nitrophenyl)-2-pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-(3-nitrophenyl)pyrimidin-2-amine Traditional Name: 3-imidazol-1-ylpropyl-[4-(3-nitrophenyl)pyrimidin-2-yl]amine Formula: C16H16N6O2 MolecularWeight: 324.33724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NC=C2)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NC=C2)NCCCN3C=CN=C3

InChI

InChI=1S/C16H16N6O2/c23-22(24)14-4-1-3-13(11-14)15-5-7-19-16(20-15)18-6-2-9-21-10-8-17-12-21/h1,3-5,7-8,10-12H,2,6,9H2,(H,18,19,20)