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

Systemtic Name: 4,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]pyrimidine Openeye Name: 4,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]pyrimidine CAS Name: 4,6-dimethyl-2-[(3-nitrophenyl)methylthio]pyrimidine IUPAC Name: 4,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]pyrimidine Traditional Name: 4,6-dimethyl-2-[(3-nitrobenzyl)thio]pyrimidine Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2S/c1-9-6-10(2)15-13(14-9)19-8-11-4-3-5-12(7-11)16(17)18/h3-7H,8H2,1-2H3