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

Systemtic Name: N-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[6-(1-benzimidazolyl)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-(1,3-benzothiazol-2-yl)amine Formula: C18H11N7O2S MolecularWeight: 389.39064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N7O2S/c26-25(27)15-16(23-18-22-12-6-2-4-8-14(12)28-18)19-9-20-17(15)24-10-21-11-5-1-3-7-13(11)24/h1-10H,(H,19,20,22,23)