6-(1-hydroxyethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 6-(1-hydroxyethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-(1-hydroxyethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 6-(1-hydroxyethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-(1-hydroxyethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-(1-hydroxyethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C20H17N3O2S MolecularWeight: 363.43288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)SC4=CC=CC=C4)O

Isomeric SMILES

CC(C1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)SC4=CC=CC=C4)O

InChI

InChI=1S/C20H17N3O2S/c1-13(24)17-11-21-19-18(12-22-23(19)20(17)25)14-7-9-16(10-8-14)26-15-5-3-2-4-6-15/h2-13,22,24H,1H3