methyl 4-[[3-(3-methylsulfanylphenyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoate

Molecular Formula: C₂₁H₁₈N₄O₄S

InChI: InChI=1/C21H18N4O4S/c1-29-20(27)14-8-6-13(7-9-14)11-24-19(26)17-18(23-12-22-17)25(21(24)28)15-4-3-5-16(10-15)30-2/h3-10,12H,11H2,1-2H3,(H,22,23)/f/h22H

InChIKey: InChIKey=SXTYQXJFXWEVFX-QWOVJGMICS
SMILES: COC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC(=CC=C4)SC

Names:
    methyl 4-[[3-(3-methylsulfanylphenyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoate

Registries:
    PubChem CID 2823286
    PubChem ID 3283697