8-(4-bromophenyl)-3-ethyl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 8-(4-bromophenyl)-3-ethyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 8-(4-bromophenyl)-3-ethyl-6-thioxo-7H-purin-2-one CAS Name: 8-(4-bromophenyl)-3-ethyl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 8-(4-bromophenyl)-3-ethyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 8-(4-bromophenyl)-3-ethyl-6-thioxo-7H-purin-2-one Formula: C13H11BrN4OS MolecularWeight: 351.22164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=S)NC1=O)NC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C2=C(C(=S)NC1=O)NC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C13H11BrN4OS/c1-2-18-11-9(12(20)17-13(18)19)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3,(H,15,16)(H,17,19,20)