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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC(=S)N(C2=O)CC3=CC=C(C=C3)Cl)N(C1=O)C

Isomeric SMILES

CN1C2=C(NC(=S)N(C2=O)CC3=CC=C(C=C3)Cl)N(C1=O)C

InChI

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