ZINC04136486

Molecular Formula: C21H28N5O2S+


InChI: InChI=1/C21H27N5O2S/c1-15-7-6-8-16(13-15)14-26-17-18(24(2)20(28)23-19(17)27)22-21(26)29-12-11-25-9-4-3-5-10-25/h6-8,13H,3-5,9-12,14H2,1-2H3,(H,23,27,28)/p+1/fC21H28N5O2S/h23,25H/q+1

InChIKey: InChIKey=KWBJXRJLUHQAJP-ZVJMBCADCV
SMILES: CC1=CC(=CC=C1)CN2C3=C(N=C2SCC[NH+]4CCCCC4)N(C(=O)NC3=O)C

Names:
    ZINC04136486
    3-methyl-7-[(3-methylphenyl)methyl]-8-[2-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethylsulfanyl]purine-2,6-dione

Registries:
    PubChem CID 7109544
    PubChem ID 12235851