4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,6-dinitro-phenol

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,6-dinitro-phenol Openeye Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,6-dinitro-phenol CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)thio]-2,6-dinitrophenol IUPAC Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,6-dinitrophenol Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,6-dinitro-phenol Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])C

InChI

InChI=1S/C12H10N4O5S/c1-6-3-7(2)14-12(13-6)22-8-4-9(15(18)19)11(17)10(5-8)16(20)21/h3-5,17H,1-2H3