8-[(3-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(3-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[(3-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(3-chlorophenyl)methylthio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[(3-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(3-chlorobenzyl)thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C14H13ClN4O2S MolecularWeight: 336.79662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H13ClN4O2S/c1-18-11-10(12(20)19(2)14(18)21)16-13(17-11)22-7-8-4-3-5-9(15)6-8/h3-6H,7H2,1-2H3,(H,16,17)