2-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1H-pyrimidine-4,6-dione

Systemtic Name: 2-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1H-pyrimidine-4,6-dione Openeye Name: 2-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-1H-pyrimidine-4,6-dione CAS Name: 2-[(2-chloro-6-nitrophenyl)methylthio]-1H-pyrimidine-4,6-dione IUPAC Name: 2-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1H-pyrimidine-4,6-dione Traditional Name: 2-[(2-chloro-6-nitro-benzyl)thio]-1H-pyrimidine-4,6-quinone Formula: C11H8ClN3O4S MolecularWeight: 313.71692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=NC1=O)SCC2=C(C=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC(=NC1=O)SCC2=C(C=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H8ClN3O4S/c12-7-2-1-3-8(15(18)19)6(7)5-20-11-13-9(16)4-10(17)14-11/h1-3H,4-5H2,(H,13,14,16,17)