2-amino-7-benzyl-9-methyl-3H-purin-6-one; 4-methylbenzenesulfonate
Molecular Formula:
C20H21N5O4S
InChI: InChI=1/C13H13N5O.C7H8O3S/c1-17-8-18(7-9-5-3-2-4-6-9)10-11(17)15-13(14)16-12(10)19;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7H2,1H3,(H2-,14,15,16,19);2-5H,1H3,(H,8,9,10)/fC13H14N5O.C7H7O3S/h15H,14H2;/q+1;-1
InChIKey: InChIKey=OVNRHNIRGSILGK-BFMXWYEKCT
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C2=C1NC(=NC2=O)N)CC3=CC=CC=C3
Names:
2-amino-7-benzyl-9-methyl-3H-purin-6-one; 4-methylbenzenesulfonate
Registries:
PubChem CID 2832052
PubChem ID 3300591
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