6-[(4-chlorophenyl)methylsulfanyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[(4-chlorophenyl)methylsulfanyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(4-chlorophenyl)methylsulfanyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)methylthio]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[(4-chlorophenyl)methylsulfanyl]-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorobenzyl)thio]-5-nitro-pyrimidin-4-yl]amine Formula: C11H9ClN4O2S MolecularWeight: 296.73276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC(=C2[N+](=O)[O-])N)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC(=C2[N+](=O)[O-])N)Cl

InChI

InChI=1S/C11H9ClN4O2S/c12-8-3-1-7(2-4-8)5-19-11-9(16(17)18)10(13)14-6-15-11/h1-4,6H,5H2,(H2,13,14,15)