1-methyl-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-methyl-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-methyl-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-methyl-6-(phenacylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-methyl-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-methyl-6-(phenacylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H12N4O2S MolecularWeight: 300.33568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC(=O)C2=CN1)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=NC(=NC(=O)C2=CN1)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O2S/c1-18-12-10(7-15-18)13(20)17-14(16-12)21-8-11(19)9-5-3-2-4-6-9/h2-7,15H,8H2,1H3