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

Systemtic Name: N-[3,6-bis(azanyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-5-yl]-4-methyl-benzenesulfonamide Openeye Name: N-(3,6-diamino-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-5-yl)-4-methyl-benzenesulfonamide CAS Name: N-(3,6-diamino-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-5-yl)-4-methylbenzenesulfonamide IUPAC Name: N-(3,6-diamino-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-5-yl)-4-methylbenzenesulfonamide Traditional Name: N-(3,6-diamino-4-keto-2H-pyrazolo[3,4-d]pyrimidin-5-yl)-4-methyl-benzenesulfonamide Formula: C12H13N7O3S MolecularWeight: 335.34172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)C3=C(NN=C3N=C2N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)C3=C(NN=C3N=C2N)N

InChI

InChI=1S/C12H13N7O3S/c1-6-2-4-7(5-3-6)23(21,22)18-19-11(20)8-9(13)16-17-10(8)15-12(19)14/h2-5,18H,1H3,(H5,13,14,15,16,17)