1,3-bis(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)propan-2-one

Systemtic Name: 1,3-bis(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)propan-2-one Openeye Name: 1,3-bis(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)propan-2-one CAS Name: 1,3-bis(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)-2-propanone IUPAC Name: 1,3-bis(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)propan-2-one Traditional Name: 1,3-bis(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)acetone Formula: C13H10N8OS2 MolecularWeight: 358.4015

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC2=C1C(=NC=N2)SCC(=O)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=NNC2=C1C(=NC=N2)SCC(=O)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C13H10N8OS2/c22-7(3-23-12-8-1-18-20-10(8)14-5-16-12)4-24-13-9-2-19-21-11(9)15-6-17-13/h1-2,5-6H,3-4H2,(H,14,16,18,20)(H,15,17,19,21)