6-[(2,4-dichlorophenyl)methylsulfanyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[(2,4-dichlorophenyl)methylsulfanyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(2,4-dichlorophenyl)methylsulfanyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[(2,4-dichlorophenyl)methylthio]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[(2,4-dichlorophenyl)methylsulfanyl]-5-nitropyrimidin-4-amine Traditional Name: [6-[(2,4-dichlorobenzyl)thio]-5-nitro-pyrimidin-4-yl]amine Formula: C11H8Cl2N4O2S MolecularWeight: 331.17782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CSC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CSC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C11H8Cl2N4O2S/c12-7-2-1-6(8(13)3-7)4-20-11-9(17(18)19)10(14)15-5-16-11/h1-3,5H,4H2,(H2,14,15,16)