Theobromine, 8-[[bis(2-chloroethyl)amino]methyl]-

Molecular Formula: C₁₂H₁₇Cl₂N₅O₂

InChI: InChI=1/C12H17Cl2N5O2/c1-17-8(7-19(5-3-13)6-4-14)15-10-9(17)11(20)16-12(21)18(10)2/h3-7H2,1-2H3,(H,16,20,21)/f/h16H

InChIKey: InChIKey=VTWVBCAWPSUZOK-WYUMXYHSCZ
SMILES: CN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CCCl)CCCl

Names:
    NSC64100
    Theobromine, 8-[[bis(2-chloroethyl)amino]methyl]-
    1H-Purine-2, 6-dione, 8-[[bis(2-chloroethyl)amino]methyl]-3,7-dihydro-3, 7-dimethyl-
    8-[bis(2-chloroethyl)aminomethyl]-3,7-dimethyl-purine-2,6-dione

Registries:
    PubChem CID 248032
    PubChem ID 110260