methyl 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoate

Molecular Formula: C₁₄H₁₂N₄O₂S

InChI: InChI=1/C14H12N4O2S/c1-20-14(19)10-4-2-9(3-5-10)6-18-8-17-11-12(18)15-7-16-13(11)21/h2-5,7-8H,6H2,1H3,(H,15,16,21)/f/h15H

InChIKey: InChIKey=BXPXUKZUIWNUAT-YAQRNVERCM
SMILES: COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2NC=NC3=S

Names:
    methyl 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoate
    NSC72866
    92150-21-5

Registries:
    PubChem CID 4566878
    PubChem ID 115365