N-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-thiazol-2-amine

Systemtic Name: N-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-thiazol-2-amine Openeye Name: N-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]thiazol-2-amine CAS Name: N-[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]-2-thiazolamine IUPAC Name: N-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]-1,3-thiazol-2-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-thiazol-2-yl-amine Formula: C13H8N8O2S MolecularWeight: 340.32002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NC4=NC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NC4=NC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C13H8N8O2S/c22-21(23)10-11(17-13-14-5-6-24-13)15-7-16-12(10)20-9-4-2-1-3-8(9)18-19-20/h1-7H,(H,14,15,16,17)