Allyltheobromine
Molecular Formula:
C
10
H
12
N
4
O
2
InChI:
InChI=1/C10H12N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h4-6H,1-3H3/b5-4+
InChIKey:
InChIKey=MBQBMQKPIQJSGV-SNAWJCMRBU
SMILES:
CC=CN1C(=O)C2=C(N=CN2C)N(C1=O)C
Names:
Allyltheobromine
BRN 0226010
NSC 40882
Theobromine, 1-allyl-
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propenyl)- (9CI)
1-Allyltheobromine
2530-99-6
3,7-dimethyl-1-[(E)-prop-1-enyl]purine-2,6-dione
5-26-13-00565 (Beilstein Handbook Reference)
Registries:
PubChem CID 6436329
PubChem ID 217892