1-phenyl-6-[(E)-3-phenylprop-2-enyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-phenyl-6-[(E)-3-phenylprop-2-enyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(E)-cinnamyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-phenyl-6-[[(E)-3-phenylprop-2-enyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-phenyl-6-[(E)-3-phenylprop-2-enyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[(E)-cinnamyl]thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H16N4OS MolecularWeight: 360.43224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4OS/c25-19-17-14-21-24(16-11-5-2-6-12-16)18(17)22-20(23-19)26-13-7-10-15-8-3-1-4-9-15/h1-12,14,21H,13H2/b10-7+