1-[(E)-but-2-enyl]-3,7-dimethyl-purine-2,6-dione
Molecular Formula:
C
11
H
14
N
4
O
2
InChI:
InChI=1/C11H14N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h4-5,7H,6H2,1-3H3/b5-4+
InChIKey:
InChIKey=NEXDOZRNANHHKQ-SNAWJCMRBG
SMILES:
CC=CCN1C(=O)C2=C(N=CN2C)N(C1=O)C
Names:
NSC 74795
Theobromine, 1-(2'-butenyl)-
1-Butyl theobromine
1-Crotyl theobromine
1-[(E)-but-2-enyl]-3,7-dimethyl-purine-2,6-dione
63906-57-0
Registries:
PubChem CID 252657
PubChem ID 215266