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

Systemtic Name: 6-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzimidazolyl)-N-(1,3-benzodioxol-5-yl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-(1,3-benzodioxol-5-yl)amine Formula: C18H12N6O4 MolecularWeight: 376.32568

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

InChI

InChI=1S/C18H12N6O4/c25-24(26)16-17(22-11-5-6-14-15(7-11)28-10-27-14)19-8-20-18(16)23-9-21-12-3-1-2-4-13(12)23/h1-9H,10H2,(H,19,20,22)