2-methyl-7-phenethylsulfanyl-1H-pyrazolo[4,3-d]pyrimidin-3-one

Systemtic Name: 2-methyl-7-phenethylsulfanyl-1H-pyrazolo[4,3-d]pyrimidin-3-one Openeye Name: 2-methyl-7-phenethylsulfanyl-1H-pyrazolo[4,3-d]pyrimidin-3-one CAS Name: 2-methyl-7-(phenethylthio)-1H-pyrazolo[4,3-d]pyrimidin-3-one IUPAC Name: 2-methyl-7-phenethylsulfanyl-1H-pyrazolo[4,3-d]pyrimidin-3-one Traditional Name: 2-methyl-7-(phenethylthio)-1H-pyrazolo[4,3-d]pyrimidin-3-one Formula: C14H14N4OS MolecularWeight: 286.35216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N1)C(=NC=N2)SCCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=C(N1)C(=NC=N2)SCCC3=CC=CC=C3

InChI

InChI=1S/C14H14N4OS/c1-18-14(19)12-11(17-18)13(16-9-15-12)20-8-7-10-5-3-2-4-6-10/h2-6,9,17H,7-8H2,1H3