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

Systemtic Name: 1-(2-methoxyphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(E)-cinnamyl]sulfanyl-1-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-methoxyphenyl)-6-[[(E)-3-phenylprop-2-enyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-methoxyphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[(E)-cinnamyl]thio]-1-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=O)C3=CN2)SCC=CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=O)C3=CN2)SC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-27-18-12-6-5-11-17(18)25-19-16(14-22-25)20(26)24-21(23-19)28-13-7-10-15-8-3-2-4-9-15/h2-12,14,22H,13H2,1H3/b10-7+