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

Systemtic Name: 1-(phenylmethyl)-4-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-benzyl-4-[(E)-cinnamyl]sulfanyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-(phenylmethyl)-4-[[(E)-3-phenylprop-2-enyl]thio]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-benzyl-4-[(E)-3-phenylprop-2-enyl]sulfanylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-benzyl-4-[[(E)-cinnamyl]thio]pyrazolo[3,4-d]pyrimidine Formula: C21H18N4S MolecularWeight: 358.45942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC=CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H18N4S/c1-3-8-17(9-4-1)12-7-13-26-21-19-14-24-25(20(19)22-16-23-21)15-18-10-5-2-6-11-18/h1-12,14,16H,13,15H2/b12-7+