2-methylsulfanyl-5-(morpholin-4-ylmethyl)-3-(phenylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-methylsulfanyl-5-(morpholin-4-ylmethyl)-3-(phenylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-(benzenesulfonyl)-2-methylsulfanyl-5-(morpholinomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-(benzenesulfonyl)-2-(methylthio)-5-(4-morpholinylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(benzenesulfonyl)-2-methylsulfanyl-5-(morpholin-4-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-besyl-2-(methylthio)-5-(morpholinomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=NC(=CC(=O)N2N1)CN3CCOCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=C(C2=NC(=CC(=O)N2N1)CN3CCOCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H20N4O4S2/c1-27-18-16(28(24,25)14-5-3-2-4-6-14)17-19-13(11-15(23)22(17)20-18)12-21-7-9-26-10-8-21/h2-6,11,20H,7-10,12H2,1H3