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

Systemtic Name: 1-(2-hydroxyethyl)-6-[(E)-3-phenylprop-2-enyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(E)-cinnamyl]sulfanyl-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-hydroxyethyl)-6-[[(E)-3-phenylprop-2-enyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-hydroxyethyl)-6-[(E)-3-phenylprop-2-enyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[(E)-cinnamyl]thio]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S/c21-9-8-20-14-13(11-17-20)15(22)19-16(18-14)23-10-4-7-12-5-2-1-3-6-12/h1-7,11,17,21H,8-10H2/b7-4+