7-(2,2-dimethylpropyl)-5-methyl-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 7-(2,2-dimethylpropyl)-5-methyl-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 7-(2,2-dimethylpropyl)-5-methyl-2-thioxo-1H-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 7-(2,2-dimethylpropyl)-5-methyl-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 7-(2,2-dimethylpropyl)-5-methyl-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 5-methyl-7-neopentyl-2-thioxo-1H-pyrrolo[3,2-d]pyrimidin-4-one Formula: C12H17N3OS MolecularWeight: 251.34788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CN(C2=C1NC(=S)NC2=O)C

Isomeric SMILES

CC(C)(C)CC1=CN(C2=C1NC(=S)NC2=O)C

InChI

InChI=1S/C12H17N3OS/c1-12(2,3)5-7-6-15(4)9-8(7)13-11(17)14-10(9)16/h6H,5H2,1-4H3,(H2,13,14,16,17)