5-(oxan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(oxan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-(4-phenylsulfanylphenyl)-5-tetrahydropyran-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-(2-oxanyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(oxan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-[4-(phenylthio)phenyl]-5-tetrahydropyran-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)C2=CC(=O)N3C(=N2)C(=CN3)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CCOC(C1)C2=CC(=O)N3C(=N2)C(=CN3)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C23H21N3O2S/c27-22-14-20(21-8-4-5-13-28-21)25-23-19(15-24-26(22)23)16-9-11-18(12-10-16)29-17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,21,24H,4-5,8,13H2