3-(7-butyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic acid
Molecular Formula:
C
13
H
18
N
4
O
4
S
InChI:
InChI=1/C13H18N4O4S/c1-3-4-6-17-9-10(16(2)12(21)15-11(9)20)14-13(17)22-7-5-8(18)19/h3-7H2,1-2H3,(H,18,19)(H,15,20,21)/f/h15,18H
InChIKey:
InChIKey=NBRHWQVQTYQTDY-NMHRWYTECL
SMILES:
CCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C
Names:
3-(7-butyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic acid
Registries:
PubChem CID 3126085
PubChem ID 4823656