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

Systemtic Name: 4,6-dimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-pyrimidine Openeye Name: 4,6-dimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-pyrimidine CAS Name: 4,6-dimethyl-2-[(4-methylsulfonyl-2-nitrophenyl)thio]pyrimidine IUPAC Name: 4,6-dimethyl-2-(4-methylsulfonyl-2-nitrophenyl)sulfanylpyrimidine Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]-4,6-dimethyl-pyrimidine Formula: C13H13N3O4S2 MolecularWeight: 339.39002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S2/c1-8-6-9(2)15-13(14-8)21-12-5-4-10(22(3,19)20)7-11(12)16(17)18/h4-7H,1-3H3