2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-purin-8-yl)sulfanylacetic acid
Molecular Formula:
C
12
H
14
N
4
O
4
S
InChI:
InChI=1/C12H14N4O4S/c1-4-5-16-8-9(13-11(16)21-6-7(17)18)14(2)12(20)15(3)10(8)19/h4H,1,5-6H2,2-3H3,(H,17,18)/f/h17H
InChIKey:
InChIKey=WIMSLWJYNKMLIP-HCKMINDGCP
SMILES:
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)O)CC=C
Names:
2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-purin-8-yl)sulfanylacetic acid
Registries:
PubChem CID 788440
PubChem ID 8218836