The Biofilms Structural Database
Name
2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate
Molecular Weight
273.31
Isomeric SMILES
CC(C)(C)COC(=O)CSc1n[nH]c(=O)[nH]c1=O
Formula
C10H15N3O4S
Identifiers
Formal Charge
0
InChI
InChI=1S/C10H15N3O4S/c1-10(2,3)5-17-6(14)4-18-8-7(15)11-9(16)13-12-8/h4-5H2,1-3H3,(H2,11,13,15,16)
Atom Count
33
InChIKey
HHKUCSHMOMLQAX-UHFFFAOYSA-N
PDB codes
5EP2
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
Aromatic Bond Count
Leaving Atoms