6-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine

Systemtic Name: 6-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine Openeye Name: 6-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine CAS Name: 6-methyl-2-[(3-nitrophenyl)methylthio]-4-pyrimidinamine IUPAC Name: 6-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine Traditional Name: [6-methyl-2-[(3-nitrobenzyl)thio]pyrimidin-4-yl]amine Formula: C12H12N4O2S MolecularWeight: 276.31428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O2S/c1-8-5-11(13)15-12(14-8)19-7-9-3-2-4-10(6-9)16(17)18/h2-6H,7H2,1H3,(H2,13,14,15)