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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-(1-imidazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amine Formula: C14H10N6O4 MolecularWeight: 326.267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4C=CN=C4

InChI

InChI=1S/C14H10N6O4/c21-20(22)12-13(16-6-17-14(12)19-4-3-15-7-19)18-9-1-2-10-11(5-9)24-8-23-10/h1-7H,8H2,(H,16,17,18)