3-(2,2-dimethylpropyl)-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 3-(2,2-dimethylpropyl)-6-sulfanylidene-7H-purin-2-one Openeye Name: 3-(2,2-dimethylpropyl)-6-thioxo-7H-purin-2-one CAS Name: 3-(2,2-dimethylpropyl)-6-sulfanylidene-7H-purin-2-one IUPAC Name: 3-(2,2-dimethylpropyl)-6-sulfanylidene-7H-purin-2-one Traditional Name: 3-neopentyl-6-thioxo-7H-purin-2-one Formula: C10H14N4OS MolecularWeight: 238.30936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(C(=S)NC1=O)NC=N2

Isomeric SMILES

CC(C)(C)CN1C2=C(C(=S)NC1=O)NC=N2

InChI

InChI=1S/C10H14N4OS/c1-10(2,3)4-14-7-6(11-5-12-7)8(16)13-9(14)15/h5H,4H2,1-3H3,(H,11,12)(H,13,15,16)