1,3-dimethyl-8-phenethylsulfanyl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 1,3-dimethyl-8-phenethylsulfanyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 1,3-dimethyl-8-phenethylsulfanyl-6-thioxo-7H-purin-2-one CAS Name: 1,3-dimethyl-8-(phenethylthio)-6-sulfanylidene-7H-purin-2-one IUPAC Name: 1,3-dimethyl-8-phenethylsulfanyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 1,3-dimethyl-8-(phenethylthio)-6-thioxo-7H-purin-2-one Formula: C15H16N4OS2 MolecularWeight: 332.44374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCC3=CC=CC=C3

InChI

InChI=1S/C15H16N4OS2/c1-18-12-11(13(21)19(2)15(18)20)16-14(17-12)22-9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17)