4,6-dimethyl-2-(2,4,6-trinitrophenyl)sulfanyl-pyrimidine

Systemtic Name: 4,6-dimethyl-2-(2,4,6-trinitrophenyl)sulfanyl-pyrimidine Openeye Name: 4,6-dimethyl-2-(2,4,6-trinitrophenyl)sulfanyl-pyrimidine CAS Name: 4,6-dimethyl-2-[(2,4,6-trinitrophenyl)thio]pyrimidine IUPAC Name: 4,6-dimethyl-2-(2,4,6-trinitrophenyl)sulfanylpyrimidine Traditional Name: 4,6-dimethyl-2-(picrylthio)pyrimidine Formula: C12H9N5O6S MolecularWeight: 351.29476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N5O6S/c1-6-3-7(2)14-12(13-6)24-11-9(16(20)21)4-8(15(18)19)5-10(11)17(22)23/h3-5H,1-2H3