(3,4-dimethylphenyl)carbamoylmethyl 3-(2,4-dimethyl-8-methylsulfanyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen-3-yl)propanoate

Molecular Formula: C₂₁H₂₅N₅O₃S

InChI: InChI=1/C21H25N5O3S/c1-12-6-7-16(10-13(12)2)23-18(27)11-29-19(28)9-8-17-14(3)22-20-24-21(30-5)25-26(20)15(17)4/h6-7,10H,8-9,11H2,1-5H3,(H,23,27)/f/h23H

InChIKey: InChIKey=QFPHZWFOQGPGFY-MPIMZMORCF
SMILES: CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=C(N3C(=NC(=N3)SC)N=C2C)C)C

Names:
(3,4-dimethylphenyl)carbamoylmethyl 3-(2,4-dimethyl-8-methylsulfanyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen-3-yl)propanoate

Registries:
PubChem CID 4797603
PubChem ID 9775979