benzyl 2-[[9-(3,4-dimethylphenyl)-5-oxo-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-trien-3-yl]sulfanyl]acetate
Molecular Formula:
C
22
H
20
N
4
O
3
S
InChI:
InChI=1/C22H20N4O3S/c1-14-8-9-17(10-15(14)2)26-20-18(11-23-26)21(28)25-22(24-20)30-13-19(27)29-12-16-6-4-3-5-7-16/h3-11,23H,12-13H2,1-2H3
InChIKey:
InChIKey=JDGIFMQXCHGPEM-UHFFFAOYAB
SMILES:
CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)OCC4=CC=CC=C4)C
Names:
benzyl 2-[[9-(3,4-dimethylphenyl)-5-oxo-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-trien-3-yl]sulfanyl]acetate
Registries:
PubChem CID 2153240
PubChem ID 6021390