2,3,5-trimethyl-6-[4-(trioxidanylsulfanyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2,3,5-trimethyl-6-[4-(trioxidanylsulfanyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 2,3,5-trimethyl-6-[4-(trioxidanylsulfanyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 4-(2,3,5-trimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzenesulfenic acid hydroperoxy ester IUPAC Name: 2,3,5-trimethyl-6-[4-(trioxidanylsulfanyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 2,3,5-trimethyl-6-[4-(trioxidanylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN2C1=NC(=C(C2=O)C3=CC=C(C=C3)SOOO)C)C

Isomeric SMILES

CC1=C(NN2C1=NC(=C(C2=O)C3=CC=C(C=C3)SOOO)C)C

InChI

InChI=1S/C15H15N3O4S/c1-8-9(2)17-18-14(8)16-10(3)13(15(18)19)11-4-6-12(7-5-11)23-22-21-20/h4-7,17,20H,1-3H3