6-[(2,5-dimethylphenyl)methylsulfanyl]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2,5-dimethylphenyl)methylthio]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2,5-dimethylbenzyl)thio]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Formula: C14H14N4OS MolecularWeight: 286.35216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C3=CNNC3=N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C3=CNNC3=N2

InChI

InChI=1S/C14H14N4OS/c1-8-3-4-9(2)10(5-8)7-20-14-16-12-11(6-15-18-12)13(19)17-14/h3-6H,7H2,1-2H3,(H2,15,16,17,18,19)