5-[2-(4-chlorophenyl)sulfanylethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(4-chlorophenyl)sulfanylethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(4-chlorophenyl)sulfanylethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-[(4-chlorophenyl)thio]ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(4-chlorophenyl)sulfanylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-[(4-chlorophenyl)thio]ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H15ClN4OS MolecularWeight: 382.8666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H15ClN4OS/c20-14-6-8-16(9-7-14)26-11-10-23-13-21-18-17(19(23)25)12-22-24(18)15-4-2-1-3-5-15/h1-9,12-13H,10-11H2