6-(benzimidazol-1-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzimidazol-1-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzimidazol-1-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzimidazolyl)-N-(3-methoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzimidazol-1-yl)-N-(3-methoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C18H14N6O3 MolecularWeight: 362.34216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

InChI

InChI=1S/C18H14N6O3/c1-27-13-6-4-5-12(9-13)22-17-16(24(25)26)18(20-10-19-17)23-11-21-14-7-2-3-8-15(14)23/h2-11H,1H3,(H,19,20,22)