1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-3,7-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C14H13ClN4O2S MolecularWeight: 336.79662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC1=S)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CN1C2=C(NC1=S)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C

InChI

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