2-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 2-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 2-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 2-ethyl-5-[(3-fluorophenyl)methylthio]-6-phenethyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 2-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-6-phenethylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 2-ethyl-5-[(3-fluorobenzyl)thio]-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H21FN4OS MolecularWeight: 408.491743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CCC4=CC=CC=C4

InChI

InChI=1S/C22H21FN4OS/c1-2-26-14-19-20(25-26)21(28)27(12-11-16-7-4-3-5-8-16)22(24-19)29-15-17-9-6-10-18(23)13-17/h3-10,13-14H,2,11-12,15H2,1H3