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

Systemtic Name: 6-[(3-methoxyphenyl)methyl]-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-[(3-methoxyphenyl)methyl]-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 6-[(3-methoxyphenyl)methyl]-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-[(3-methoxyphenyl)methyl]-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-m-anisyl-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C26H21N3O2S MolecularWeight: 439.52884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=CN=C3C(=CNN3C2=O)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)CC2=CN=C3C(=CNN3C2=O)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O2S/c1-31-21-7-5-6-18(15-21)14-20-16-27-25-24(17-28-29(25)26(20)30)19-10-12-23(13-11-19)32-22-8-3-2-4-9-22/h2-13,15-17,28H,14H2,1H3