1-methyl-4-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-methyl-4-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(E)-cinnamyl]sulfanyl-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-4-[[(E)-3-phenylprop-2-enyl]thio]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-methyl-4-[(E)-3-phenylprop-2-enyl]sulfanylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[[(E)-cinnamyl]thio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C15H14N4S MolecularWeight: 282.36346

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC=CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C15H14N4S/c1-19-14-13(10-18-19)15(17-11-16-14)20-9-5-8-12-6-3-2-4-7-12/h2-8,10-11H,9H2,1H3/b8-5+