N-[4,6-bis(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4,6-bis(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[4,6-bis(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-4-methyl-benzenesulfonamide CAS Name: N-[4,6-bis(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[4,6-bis(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-4-methylbenzenesulfonamide Traditional Name: N-[4,6-bis(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-4-methyl-benzenesulfonamide Formula: C14H15N5O2S3 MolecularWeight: 381.4962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NNC3=C2C(=NC(=N3)SC)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NNC3=C2C(=NC(=N3)SC)SC

InChI

InChI=1S/C14H15N5O2S3/c1-8-4-6-9(7-5-8)24(20,21)19-12-10-11(17-18-12)15-14(23-3)16-13(10)22-2/h4-7H,1-3H3,(H2,15,16,17,18,19)