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

Systemtic Name: 1,3-dimethyl-8-phenyl-2-sulfanylidene-7H-purin-6-one Openeye Name: 1,3-dimethyl-8-phenyl-2-thioxo-7H-purin-6-one CAS Name: 1,3-dimethyl-8-phenyl-2-sulfanylidene-7H-purin-6-one IUPAC Name: 1,3-dimethyl-8-phenyl-2-sulfanylidene-7H-purin-6-one Traditional Name: 1,3-dimethyl-8-phenyl-2-thioxo-7H-purin-6-one Formula: C13H12N4OS MolecularWeight: 272.32558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4OS/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)