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

Systemtic Name: N-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)-4-methyl-1,3-benzothiazol-2-amine Openeye Name: N-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)-4-methyl-1,3-benzothiazol-2-amine CAS Name: N-[6-(1-imidazolyl)-5-nitro-4-pyrimidinyl]-4-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)-4-methyl-1,3-benzothiazol-2-amine Traditional Name: (6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)-(4-methyl-1,3-benzothiazol-2-yl)amine Formula: C15H11N7O2S MolecularWeight: 353.35854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4C=CN=C4

InChI

InChI=1S/C15H11N7O2S/c1-9-3-2-4-10-11(9)19-15(25-10)20-13-12(22(23)24)14(18-7-17-13)21-6-5-16-8-21/h2-8H,1H3,(H,17,18,19,20)