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

Systemtic Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C14H13BrN4O2S MolecularWeight: 381.24762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C14H13BrN4O2S/c1-17-11-10(12(20)18(2)14(17)21)19(13(22)16-11)7-8-3-5-9(15)6-4-8/h3-6H,7H2,1-2H3,(H,16,22)