5-azanyl-6-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-azanyl-6-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-amino-6-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-amino-6-(1,3-benzodioxol-5-ylmethylthio)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-amino-6-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-amino-1-phenyl-6-(piperonylthio)pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H15N5O3S MolecularWeight: 393.4191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NC4=C(C=NN4C5=CC=CC=C5)C(=O)N3N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NC4=C(C=NN4C5=CC=CC=C5)C(=O)N3N

InChI

InChI=1S/C19H15N5O3S/c20-23-18(25)14-9-21-24(13-4-2-1-3-5-13)17(14)22-19(23)28-10-12-6-7-15-16(8-12)27-11-26-15/h1-9H,10-11,20H2