5-(dimethylaminomethyl)-2-methylsulfanyl-3-(phenylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(dimethylaminomethyl)-2-methylsulfanyl-3-(phenylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-(benzenesulfonyl)-5-(dimethylaminomethyl)-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-(benzenesulfonyl)-5-(dimethylaminomethyl)-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(benzenesulfonyl)-5-(dimethylaminomethyl)-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-besyl-5-(dimethylaminomethyl)-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C16H18N4O3S2 MolecularWeight: 378.46912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=O)N2C(=N1)C(=C(N2)SC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CC1=CC(=O)N2C(=N1)C(=C(N2)SC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O3S2/c1-19(2)10-11-9-13(21)20-15(17-11)14(16(18-20)24-3)25(22,23)12-7-5-4-6-8-12/h4-9,18H,10H2,1-3H3