5,7-dimethyl-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

Systemtic Name: 5,7-dimethyl-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine Openeye Name: 5,7-dimethyl-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine CAS Name: 5,7-dimethyl-2-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]imidazo[1,2-a]pyrimidine IUPAC Name: 5,7-dimethyl-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine Traditional Name: 5,7-dimethyl-2-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]imidazo[1,2-a]pyrimidine Formula: C16H14N6O2S MolecularWeight: 354.38636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=CN12)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC2=NC(=CN12)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C16H14N6O2S/c1-9-5-10(2)21-7-11(18-15(21)17-9)8-25-16-19-13-4-3-12(22(23)24)6-14(13)20-16/h3-7H,8H2,1-2H3,(H,19,20)