4-(phenylmethylsulfanyl)-1-prop-2-ynyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(phenylmethylsulfanyl)-1-prop-2-ynyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-benzylsulfanyl-1-prop-2-ynyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(phenylmethylthio)-1-prop-2-ynylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(benzylthio)-1-propargyl-pyrazolo[3,4-d]pyrimidine Formula: C15H12N4S MolecularWeight: 280.34758

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=N1)C(=NC=N2)SCC3=CC=CC=C3

Isomeric SMILES

C#CCN1C2=C(C=N1)C(=NC=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C15H12N4S/c1-2-8-19-14-13(9-18-19)15(17-11-16-14)20-10-12-6-4-3-5-7-12/h1,3-7,9,11H,8,10H2