4-[(4-chlorophenyl)methylsulfanyl]-1-prop-2-enyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-1-prop-2-enyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-allyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(4-chlorophenyl)methylthio]-1-prop-2-enylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-1-prop-2-enylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-allyl-4-[(4-chlorobenzyl)thio]pyrazolo[3,4-d]pyrimidine Formula: C15H13ClN4S MolecularWeight: 316.80852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN4S/c1-2-7-20-14-13(8-19-20)15(18-10-17-14)21-9-11-3-5-12(16)6-4-11/h2-6,8,10H,1,7,9H2