6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(3,3-dimethyl-2-oxo-butyl)sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3,3-dimethyl-2-oxobutyl)thio]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(3,3-dimethyl-2-oxobutyl)sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-keto-3,3-dimethyl-butyl)thio]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC(=O)C2=CNNC2=N1

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC(=O)C2=CNNC2=N1

InChI

InChI=1S/C11H14N4O2S/c1-11(2,3)7(16)5-18-10-13-8-6(4-12-15-8)9(17)14-10/h4H,5H2,1-3H3,(H2,12,13,14,15,17)