1-[(4-ethylphenyl)methyl]-3-(2-methylphenyl)-7H-purine-2,6-dione hydrate
Molecular Formula:
C
42
H
42
N
8
O
5
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