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

Systemtic Name: 5-(methoxymethyl)-2-methylsulfanyl-3-(phenylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-(benzenesulfonyl)-5-(methoxymethyl)-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-(benzenesulfonyl)-5-(methoxymethyl)-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(benzenesulfonyl)-5-(methoxymethyl)-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-besyl-5-(methoxymethyl)-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C15H15N3O4S2 MolecularWeight: 365.4273

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=O)N2C(=N1)C(=C(N2)SC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COCC1=CC(=O)N2C(=N1)C(=C(N2)SC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H15N3O4S2/c1-22-9-10-8-12(19)18-14(16-10)13(15(17-18)23-2)24(20,21)11-6-4-3-5-7-11/h3-8,17H,9H2,1-2H3