benzyl 2-[[7-(4-fluorophenyl)-9-phenyl-3,5,7-triazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yl]sulfanyl]acetate
Molecular Formula:
C
27
H
20
FN
3
O
2
S
InChI:
InChI=1/C27H20FN3O2S/c28-21-11-13-22(14-12-21)31-15-23(20-9-5-2-6-10-20)25-26(31)29-18-30-27(25)34-17-24(32)33-16-19-7-3-1-4-8-19/h1-15,18H,16-17H2
InChIKey:
InChIKey=FVCWHKQUCHHQEM-UHFFFAOYAS
SMILES:
C1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)F)C5=CC=CC=C5
Names:
benzyl 2-[[7-(4-fluorophenyl)-9-phenyl-3,5,7-triazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yl]sulfanyl]acetate
Registries:
PubChem CID 4121307
PubChem ID 6050589