6-[(2-chlorophenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(2-chlorophenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2-chlorophenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2-chlorophenyl)methylthio]-5-(2-ethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2-chlorophenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-chlorobenzyl)thio]-5-o-phenetyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-2-27-17-10-6-5-9-16(17)25-19(26)14-11-22-24-18(14)23-20(25)28-12-13-7-3-4-8-15(13)21/h3-11H,2,12H2,1H3,(H,22,24)