Unophyllin
Molecular Formula:
C
9
H
15
N
5
O
3
InChI:
InChI=1/C7H8N4O2.C2H7NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h3H,1-2H3,(H,8,9);4H,1-3H2/f/h8H;
InChIKey:
InChIKey=DAAFJZUNCOXSKD-LUXJPWOACE
SMILES:
CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CO)N
Names:
Clysmathane
Fleet-theophylline
Monotheamine
Monotheamin
Monoxantil
Theamin
Theophylline ethanolamine
THEOPHYLLINE OLAMINE
Theopylline monoethanolamine
Unophyllin
2-aminoethanol; 1,3-dimethyl-7H-purine-2,6-dione
Registries:
PubChem CID 11311
PubChem ID 154613