(3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 4-cyanobenzoate
Molecular Formula:
C
21
H
23
N
5
O
4
InChI:
InChI=1/C21H23N5O4/c1-3-5-11-26-18-17(19(27)24-21(26)29)25(10-4-2)16(23-18)13-30-20(28)15-8-6-14(12-22)7-9-15/h6-9H,3-5,10-11,13H2,1-2H3,(H,24,27,29)/f/h24H
InChIKey:
InChIKey=JDSXVWMXGNFNGT-LQFNOIFHCR
SMILES:
CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=C(C=C3)C#N)CCC
Names:
(3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 4-cyanobenzoate
Registries:
PubChem CID 4847761
PubChem ID 9804046