The Biofilms Structural Database
Name
2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{H}-1,2,4-triazin-6-yl)amino]ethanoate
Molecular Weight
272.32
Isomeric SMILES
CC(C)(C)COC(=O)CNc1n[nH]c(=O)[nH]c1=S
Formula
C10H16N4O3S
Identifiers
Formal Charge
0
InChI
InChI=1S/C10H16N4O3S/c1-10(2,3)5-17-6(15)4-11-7-8(18)12-9(16)14-13-7/h4-5H2,1-3H3,(H,11,13)(H2,12,14,16,18)
Atom Count
34
InChIKey
REFYLRHEWINELP-UHFFFAOYSA-N
PDB codes
5EP3
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
Aromatic Bond Count
Leaving Atoms