2-[(3,5-dinitrophenyl)methylsulfanyl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[(3,5-dinitrophenyl)methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[(3,5-dinitrobenzyl)thio]-4,6-dimethyl-pyrimidine Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C13H12N4O4S/c1-8-3-9(2)15-13(14-8)22-7-10-4-11(16(18)19)6-12(5-10)17(20)21/h3-6H,7H2,1-2H3