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

Systemtic Name: N-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)-4,5-dimethyl-1,3-thiazol-2-amine Openeye Name: N-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)-4,5-dimethyl-thiazol-2-amine CAS Name: N-[6-(1-imidazolyl)-5-nitro-4-pyrimidinyl]-4,5-dimethyl-2-thiazolamine IUPAC Name: N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)-4,5-dimethyl-1,3-thiazol-2-amine Traditional Name: (4,5-dimethylthiazol-2-yl)-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amine Formula: C12H11N7O2S MolecularWeight: 317.32644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3)C

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3)C

InChI

InChI=1S/C12H11N7O2S/c1-7-8(2)22-12(16-7)17-10-9(19(20)21)11(15-5-14-10)18-4-3-13-6-18/h3-6H,1-2H3,(H,14,15,16,17)