5-(phenylmethoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(phenylmethoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(benzyloxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-(phenylmethoxymethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(phenylmethoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-(benzoxymethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=CC(=O)N3C(=N2)C(=CN3)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COCC2=CC(=O)N3C(=N2)C(=CN3)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O2S/c30-25-15-21(18-31-17-19-7-3-1-4-8-19)28-26-24(16-27-29(25)26)20-11-13-23(14-12-20)32-22-9-5-2-6-10-22/h1-16,27H,17-18H2