4,6-dimethyl-2-(4-methylsulfonyl-2,6-dinitro-phenyl)sulfanyl-pyrimidine

Systemtic Name: 4,6-dimethyl-2-(4-methylsulfonyl-2,6-dinitro-phenyl)sulfanyl-pyrimidine Openeye Name: 4,6-dimethyl-2-(4-methylsulfonyl-2,6-dinitro-phenyl)sulfanyl-pyrimidine CAS Name: 4,6-dimethyl-2-[(4-methylsulfonyl-2,6-dinitrophenyl)thio]pyrimidine IUPAC Name: 4,6-dimethyl-2-(4-methylsulfonyl-2,6-dinitrophenyl)sulfanylpyrimidine Traditional Name: 2-[(4-mesyl-2,6-dinitro-phenyl)thio]-4,6-dimethyl-pyrimidine Formula: C13H12N4O6S2 MolecularWeight: 384.38758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O6S2/c1-7-4-8(2)15-13(14-7)24-12-10(16(18)19)5-9(25(3,22)23)6-11(12)17(20)21/h4-6H,1-3H3