8-(2-chloroethylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-(2-chloroethylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(2-chloroethylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-(2-chloroethylthio)-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(2-chloroethylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(2-chloroethylthio)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C9H11ClN4O2S MolecularWeight: 274.72724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCCCl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCCCl

InChI

InChI=1S/C9H11ClN4O2S/c1-13-6-5(7(15)14(2)9(13)16)11-8(12-6)17-4-3-10/h3-4H2,1-2H3,(H,11,12)