2-methyl-7-(phenylmethylsulfanyl)-1H-pyrazolo[4,3-d]pyrimidin-3-one

Systemtic Name: 2-methyl-7-(phenylmethylsulfanyl)-1H-pyrazolo[4,3-d]pyrimidin-3-one Openeye Name: 7-benzylsulfanyl-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-3-one CAS Name: 2-methyl-7-(phenylmethylthio)-1H-pyrazolo[4,3-d]pyrimidin-3-one IUPAC Name: 7-benzylsulfanyl-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-3-one Traditional Name: 7-(benzylthio)-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-3-one Formula: C13H12N4OS MolecularWeight: 272.32558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N1)C(=NC=N2)SCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=C(N1)C(=NC=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C13H12N4OS/c1-17-13(18)11-10(16-17)12(15-8-14-11)19-7-9-5-3-2-4-6-9/h2-6,8,16H,7H2,1H3