N-(5-azanyl-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide

Systemtic Name: N-(5-azanyl-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide Openeye Name: N-(5-amino-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide CAS Name: N-(5-amino-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide IUPAC Name: N-(5-amino-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide Traditional Name: N-(5-amino-4-keto-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-chloro-2-mercapto-5-methyl-benzenesulfonamide Formula: C12H11ClN6O3S2 MolecularWeight: 386.83714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(C=NN3)C(=O)N2N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(C=NN3)C(=O)N2N

InChI

InChI=1S/C12H11ClN6O3S2/c1-5-2-9(8(23)3-7(5)13)24(21,22)18-12-16-10-6(4-15-17-10)11(20)19(12)14/h2-4,23H,14H2,1H3,(H2,15,16,17,18)