6-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[2-(4-ethoxyphenoxy)ethylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[2-(4-ethoxyphenoxy)ethylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S/c1-2-27-16-8-10-17(11-9-16)28-12-13-29-21-23-19-18(20(26)24-21)14-22-25(19)15-6-4-3-5-7-15/h3-11,14,22H,2,12-13H2,1H3