4,5,6-trimethyl-2-[(2-nitrophenyl)methylsulfanyl]pyrimidine

Systemtic Name: 4,5,6-trimethyl-2-[(2-nitrophenyl)methylsulfanyl]pyrimidine Openeye Name: 4,5,6-trimethyl-2-[(2-nitrophenyl)methylsulfanyl]pyrimidine CAS Name: 4,5,6-trimethyl-2-[(2-nitrophenyl)methylthio]pyrimidine IUPAC Name: 4,5,6-trimethyl-2-[(2-nitrophenyl)methylsulfanyl]pyrimidine Traditional Name: 4,5,6-trimethyl-2-[(2-nitrobenzyl)thio]pyrimidine Formula: C14H15N3O2S MolecularWeight: 289.3528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C14H15N3O2S/c1-9-10(2)15-14(16-11(9)3)20-8-12-6-4-5-7-13(12)17(18)19/h4-7H,8H2,1-3H3