N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-[3-(1-imidazolyl)propyl]-6-(2-methoxyphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine Traditional Name: 3-imidazol-1-ylpropyl-[6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C17H18N6O4 MolecularWeight: 370.36262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

Isomeric SMILES

COC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

InChI

InChI=1S/C17H18N6O4/c1-26-13-5-2-3-6-14(13)27-17-15(23(24)25)16(20-11-21-17)19-7-4-9-22-10-8-18-12-22/h2-3,5-6,8,10-12H,4,7,9H2,1H3,(H,19,20,21)