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

Systemtic Name: 7-hexylsulfanyl-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-3-one Openeye Name: 7-hexylsulfanyl-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-3-one CAS Name: 7-(hexylthio)-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-3-one IUPAC Name: 7-hexylsulfanyl-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-3-one Traditional Name: 7-(hexylthio)-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-3-one Formula: C12H18N4OS MolecularWeight: 266.36252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC=NC2=C1NN(C2=O)C

Isomeric SMILES

CCCCCCSC1=NC=NC2=C1NN(C2=O)C

InChI

InChI=1S/C12H18N4OS/c1-3-4-5-6-7-18-11-9-10(13-8-14-11)12(17)16(2)15-9/h8,15H,3-7H2,1-2H3