3-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic acid
Molecular Formula:
C
17
H
18
N
4
O
4
S
InChI:
InChI=1/C17H18N4O4S/c1-19-14-13(15(24)20(2)17(19)25)21(10-11-6-4-3-5-7-11)16(18-14)26-9-8-12(22)23/h3-7H,8-10H2,1-2H3,(H,22,23)/f/h22H
InChIKey:
InChIKey=MGKQQHNDKWUHLG-QWOVJGMICI
SMILES:
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCC(=O)O)CC3=CC=CC=C3
Names:
3-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic acid
Registries:
PubChem CID 980161
PubChem ID 4829807