2-anilino-7-benzyl-9-methyl-3H-purin-6-one; 4-methylbenzenesulfonate

Molecular Formula: C26H25N5O4S


InChI: InChI=1/C19H17N5O.C7H8O3S/c1-23-13-24(12-14-8-4-2-5-9-14)16-17(23)21-19(22-18(16)25)20-15-10-6-3-7-11-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,13H,12H2,1H3,(H-,20,21,22,25);2-5H,1H3,(H,8,9,10)/fC19H18N5O.C7H7O3S/h20-21H;/q+1;-1

InChIKey: InChIKey=BZYSSWVISYIGMK-FECZBJBVCA
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C2=C1NC(=NC2=O)NC3=CC=CC=C3)CC4=CC=CC=C4

Names:
    2-anilino-7-benzyl-9-methyl-3H-purin-6-one; 4-methylbenzenesulfonate

Registries:
    PubChem CID 2832053
    PubChem ID 3300592