(3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-methyl-3-nitro-benzoate
Molecular Formula:
C
21
H
25
N
5
O
6
InChI:
InChI=1/C21H25N5O6/c1-4-6-11-25-18-17(19(27)23-21(25)29)24(10-5-2)16(22-18)12-32-20(28)14-8-7-9-15(13(14)3)26(30)31/h7-9H,4-6,10-12H2,1-3H3,(H,23,27,29)/f/h23H
InChIKey:
InChIKey=BIBBOPKOKBCUBR-MPIMZMORCJ
SMILES:
CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)CCC
Names:
(3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-methyl-3-nitro-benzoate
Registries:
PubChem CID 4849055
PubChem ID 9804937