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

Systemtic Name: 6-(benzimidazol-1-yl)-N-(4-butoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzimidazol-1-yl)-N-(4-butoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzimidazolyl)-N-(4-butoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzimidazol-1-yl)-N-(4-butoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-(4-butoxyphenyl)amine Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H20N6O3/c1-2-3-12-30-16-10-8-15(9-11-16)25-20-19(27(28)29)21(23-13-22-20)26-14-24-17-6-4-5-7-18(17)26/h4-11,13-14H,2-3,12H2,1H3,(H,22,23,25)