9-[2-(4-chlorophenyl)sulfanylethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-[2-(4-chlorophenyl)sulfanylethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[2-(4-chlorophenyl)sulfanylethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[2-[(4-chlorophenyl)thio]ethyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[2-(4-chlorophenyl)sulfanylethyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-[2-[(4-chlorophenyl)thio]ethyl]-1,3-dimethyl-8-nitro-xanthine Formula: C15H14ClN5O4S MolecularWeight: 395.82076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCSC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCSC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H14ClN5O4S/c1-18-12-11(13(22)19(2)15(18)23)17-14(21(24)25)20(12)7-8-26-10-5-3-9(16)4-6-10/h3-6H,7-8H2,1-2H3