1-[(4-ethylphenyl)methyl]-3-(2-methylphenyl)-7H-purine-2,6-dione hydrate

Molecular Formula: C42H42N8O5


InChI: InChI=1/2C21H20N4O2.H2O/c2*1-3-15-8-10-16(11-9-15)12-24-20(26)18-19(23-13-22-18)25(21(24)27)17-7-5-4-6-14(17)2;/h2*4-11,13H,3,12H2,1-2H3,(H,22,23);1H2/f/h2*22H;

InChIKey: InChIKey=GQNMTRVMCAOBAB-NVBHCRRZCC
SMILES: CCC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC=C4C.CCC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC=C4C.O

Names:
    1-[(4-ethylphenyl)methyl]-3-(2-methylphenyl)-7H-purine-2,6-dione hydrate

Registries:
    PubChem CID 2823627
    PubChem ID 3284072