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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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