N-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)-1,3-benzothiazol-2-amine

Systemtic Name: N-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: N-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)-1,3-benzothiazol-2-amine CAS Name: N-[6-(1-imidazolyl)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amine Formula: C14H9N7O2S MolecularWeight: 339.33196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4C=CN=C4

InChI

InChI=1S/C14H9N7O2S/c22-21(23)11-12(16-7-17-13(11)20-6-5-15-8-20)19-14-18-9-3-1-2-4-10(9)24-14/h1-8H,(H,16,17,18,19)