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

Systemtic Name: 6-(benzimidazol-1-yl)-N-(4-butylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzimidazol-1-yl)-N-(4-butylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzimidazolyl)-N-(4-butylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzimidazol-1-yl)-N-(4-butylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C21H20N6O2 MolecularWeight: 388.4225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H20N6O2/c1-2-3-6-15-9-11-16(12-10-15)25-20-19(27(28)29)21(23-13-22-20)26-14-24-17-7-4-5-8-18(17)26/h4-5,7-14H,2-3,6H2,1H3,(H,22,23,25)